5-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]-1H-1,2,4-triazole-3-carboxamide

C13H15N5O — CID 114701656

IUPAC5-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCc1cnccc1CNC(=O)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C13H15N5O/c1-8-6-14-5-4-10(8)7-15-13(19)12-16-11(17-18-12)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyIEBIHZHBVLREFR-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.32
Rot. Bonds4

About 5-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]-1H-1,2,4-triazole-3-carboxamide

5-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 114701656) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID114701656
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name5-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCc1cnccc1CNC(=O)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C13H15N5O/c1-8-6-14-5-4-10(8)7-15-13(19)12-16-11(17-18-12)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyIEBIHZHBVLREFR-UHFFFAOYSA-N
XLogP1.32
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-4-pyridinyl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 114701643
5-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 106304004
3-hydroxy-2-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700649
2-hydroxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700654
1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea
CID 114699395
5-cyclopropyl-N-[3-(dimethylamino)-4-methylphenyl]-1H-1,2,4-triazole-3-carboxamide
CID 115378987
4-amino-N-[(3-methyl-4-pyridinyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 114698169
2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700594
3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698194
5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 107854489
2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114701808
6-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 114699456

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]-1H-1,2,4-triazole-3-carboxamide (CID 114701656) is 5-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]-1H-1,2,4-triazole-3-carboxamide is Cc1cnccc1CNC(=O)c1n[nH]c(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is IEBIHZHBVLREFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-8-6-14-5-4-10(8)7-15-13(19)12-16-11(17-18-12)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of 5-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]-1H-1,2,4-triazole-3-carboxamide?
5-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 114701656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).