3-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide

C12H14N6O — CID 55115097

IUPAC3-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)N(Cc2ccccn2)C2CC2)n1
InChIInChI=1S/C12H14N6O/c13-12-15-10(16-17-12)11(19)18(9-4-5-9)7-8-3-1-2-6-14-8/h1-3,6,9H,4-5,7H2,(H3,13,15,16,17)
InChIKeyKAVIVSAJLNCPBQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.59
Rot. Bonds4

About 3-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 55115097) has the molecular formula C12H14N6O and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID55115097
Molecular FormulaC12H14N6O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name3-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)N(Cc2ccccn2)C2CC2)n1
InChIInChI=1S/C12H14N6O/c13-12-15-10(16-17-12)11(19)18(9-4-5-9)7-8-3-1-2-6-14-8/h1-3,6,9H,4-5,7H2,(H3,13,15,16,17)
InChIKeyKAVIVSAJLNCPBQ-UHFFFAOYSA-N
XLogP0.59
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62793672
5-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 81317198
2-amino-4-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)benzamide
CID 79704107
3-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794179
2-amino-N-cyclopropyl-6-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 61113549
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
ethyl N-cyclopropyl-N-(pyridin-2-ylmethyl)carbamate
CID 60665020
2-amino-N-[2-[cyclopropyl(pyridin-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54869689
2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 54869781
3-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 62670174
2-benzhydryloxy-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide
CID 51220779
cis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 94822499

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide (CID 55115097) is 3-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)N(Cc2ccccn2)C2CC2)n1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is KAVIVSAJLNCPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c13-12-15-10(16-17-12)11(19)18(9-4-5-9)7-8-3-1-2-6-14-8/h1-3,6,9H,4-5,7H2,(H3,13,15,16,17).
What are the key properties of 3-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 55115097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).