5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;cyclopropanecarboxylic acid

C17H19N5O2 — CID 159857656

IUPAC5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;cyclopropanecarboxylic acid
SMILESNCc1ccc(-c2cccc3nc(N)nn23)cc1.O=C(O)C1CC1
InChIInChI=1S/C13H13N5.C4H6O2/c14-8-9-4-6-10(7-5-9)11-2-1-3-12-16-13(15)17-18(11)12;5-4(6)3-1-2-3/h1-7H,8,14H2,(H2,15,17);3H,1-2H2,(H,5,6)
InChIKeyNQSRSLOWFVWSPY-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.92
Rot. Bonds3

About 5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;cyclopropanecarboxylic acid

5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;cyclopropanecarboxylic acid (PubChem CID 159857656) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;cyclopropanecarboxylic acid.

Molecular Properties

Compound Name5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;cyclopropanecarboxylic acid
PubChem CID159857656
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;cyclopropanecarboxylic acid
SMILESNCc1ccc(-c2cccc3nc(N)nn23)cc1.O=C(O)C1CC1
InChIInChI=1S/C13H13N5.C4H6O2/c14-8-9-4-6-10(7-5-9)11-2-1-3-12-16-13(15)17-18(11)12;5-4(6)3-1-2-3/h1-7H,8,14H2,(H2,15,17);3H,1-2H2,(H,5,6)
InChIKeyNQSRSLOWFVWSPY-UHFFFAOYSA-N
XLogP1.92
TPSA119.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid
CID 172863039
cyclopropanecarboxylic acid;5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 172705766
2-[4-[[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methylamino]phenyl]acetonitrile;cyclopropanecarboxylic acid
CID 172743177
5-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 90106702
N-[5-[4-[[2-(aminomethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 70240226
[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 90107715
5-(4-thiomorpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 175818146
5-(4-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 68705137
[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 90105596
1-(2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-4-carboxylic acid
CID 82555480
4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid
CID 159758210
cyclopropanecarbaldehyde;ethane;5-[4-[(1-hydroxy-1-methoxy-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 142309841

Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;cyclopropanecarboxylic acid?
The IUPAC name of 5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;cyclopropanecarboxylic acid (CID 159857656) is 5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;cyclopropanecarboxylic acid.
What is the SMILES notation for 5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;cyclopropanecarboxylic acid?
The canonical SMILES for 5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;cyclopropanecarboxylic acid is NCc1ccc(-c2cccc3nc(N)nn23)cc1.O=C(O)C1CC1.
What is the InChIKey of 5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;cyclopropanecarboxylic acid?
The InChIKey is NQSRSLOWFVWSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5.C4H6O2/c14-8-9-4-6-10(7-5-9)11-2-1-3-12-16-13(15)17-18(11)12;5-4(6)3-1-2-3/h1-7H,8,14H2,(H2,15,17);3H,1-2H2,(H,5,6).
What are the key properties of 5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;cyclopropanecarboxylic acid?
5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;cyclopropanecarboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;cyclopropanecarboxylic acid is sourced from PubChem (CID 159857656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).