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Summary Geometry Related PDB entries

3DC

Summary

Name:	6-(1H-pyrazol-4-yl)-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
Formula:	C14 H11 N7
Formal charge:	0
Formula weight:	277.284 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-(1H-pyrazol-4-yl)-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
OpenEye OEToolkits	1.9.2	6-(1H-pyrazol-4-yl)-N-pyridin-4-yl-pyrrolo[2,1-f][1,2,4]triazin-4-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n3n2cc(c1cnnc1)cc2c(nc3)Nc4ccncc4
InChI	InChI	1.03	InChI=1S/C14H11N7/c1-3-15-4-2-12(1)20-14-13-5-10(11-6-17-18-7-11)8-21(13)19-9-16-14/h1-9H,(H,17,18)(H,15,16,19,20)
InChIKey	InChI	1.03	KFPMWFGUHKKDSW-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	[nH]1cc(cn1)c2cn3ncnc(Nc4ccncc4)c3c2
SMILES	CACTVS	3.385	[nH]1cc(cn1)c2cn3ncnc(Nc4ccncc4)c3c2
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	c1cnccc1Nc2c3cc(cn3ncn2)c4c[nH]nc4
SMILES	OpenEye OEToolkits	1.9.2	c1cnccc1Nc2c3cc(cn3ncn2)c4c[nH]nc4

222036

PDB entries from 2024-07-03

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