2-[4-[[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methylamino]phenyl]acetonitrile;cyclopropanecarboxylic acid

C25H24N6O2 — CID 172743177

IUPAC2-[4-[[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methylamino]phenyl]acetonitrile;cyclopropanecarboxylic acid
SMILESN#CCc1ccc(NCc2ccc(-c3cccc4nc(N)nn34)cc2)cc1.O=C(O)C1CC1
InChIInChI=1S/C21H18N6.C4H6O2/c22-13-12-15-6-10-18(11-7-15)24-14-16-4-8-17(9-5-16)19-2-1-3-20-25-21(23)26-27(19)20;5-4(6)3-1-2-3/h1-11,24H,12,14H2,(H2,23,26);3H,1-2H2,(H,5,6)
InChIKeyJJFMKBCMGNHNII-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.14
Rot. Bonds6

About 2-[4-[[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methylamino]phenyl]acetonitrile;cyclopropanecarboxylic acid

2-[4-[[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methylamino]phenyl]acetonitrile;cyclopropanecarboxylic acid (PubChem CID 172743177) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 2-[4-[[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methylamino]phenyl]acetonitrile;cyclopropanecarboxylic acid.

Molecular Properties

Compound Name2-[4-[[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methylamino]phenyl]acetonitrile;cyclopropanecarboxylic acid
PubChem CID172743177
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name2-[4-[[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methylamino]phenyl]acetonitrile;cyclopropanecarboxylic acid
SMILESN#CCc1ccc(NCc2ccc(-c3cccc4nc(N)nn34)cc2)cc1.O=C(O)C1CC1
InChIInChI=1S/C21H18N6.C4H6O2/c22-13-12-15-6-10-18(11-7-15)24-14-16-4-8-17(9-5-16)19-2-1-3-20-25-21(23)26-27(19)20;5-4(6)3-1-2-3/h1-11,24H,12,14H2,(H2,23,26);3H,1-2H2,(H,5,6)
InChIKeyJJFMKBCMGNHNII-UHFFFAOYSA-N
XLogP4.14
TPSA129.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;cyclopropanecarboxylic acid
CID 159857656
N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid
CID 172863039
N-[5-[4-[[2-(aminomethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 70240226
N-[5-[4-[[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374731
4-[[4-(cyanomethyl)anilino]methyl]benzoic acid
CID 62301512
5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 90106702
N-(cyanomethyl)-4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(2-phenylethyl)benzamide
CID 58374694
[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 90107715
N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 24798484
N-[5-[4-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374735
[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-[(dimethylamino)methyl]azetidin-1-yl]methanone
CID 90107661
[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 90105596

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methylamino]phenyl]acetonitrile;cyclopropanecarboxylic acid?
The IUPAC name of 2-[4-[[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methylamino]phenyl]acetonitrile;cyclopropanecarboxylic acid (CID 172743177) is 2-[4-[[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methylamino]phenyl]acetonitrile;cyclopropanecarboxylic acid.
What is the SMILES notation for 2-[4-[[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methylamino]phenyl]acetonitrile;cyclopropanecarboxylic acid?
The canonical SMILES for 2-[4-[[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methylamino]phenyl]acetonitrile;cyclopropanecarboxylic acid is N#CCc1ccc(NCc2ccc(-c3cccc4nc(N)nn34)cc2)cc1.O=C(O)C1CC1.
What is the InChIKey of 2-[4-[[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methylamino]phenyl]acetonitrile;cyclopropanecarboxylic acid?
The InChIKey is JJFMKBCMGNHNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6.C4H6O2/c22-13-12-15-6-10-18(11-7-15)24-14-16-4-8-17(9-5-16)19-2-1-3-20-25-21(23)26-27(19)20;5-4(6)3-1-2-3/h1-11,24H,12,14H2,(H2,23,26);3H,1-2H2,(H,5,6).
What are the key properties of 2-[4-[[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methylamino]phenyl]acetonitrile;cyclopropanecarboxylic acid?
2-[4-[[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methylamino]phenyl]acetonitrile;cyclopropanecarboxylic acid has a molecular weight of 440.51 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methylamino]phenyl]acetonitrile;cyclopropanecarboxylic acid is sourced from PubChem (CID 172743177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).