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

C11H15N7O — CID 106304004

IUPAC5-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCCn1cnnc1CNC(=O)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C11H15N7O/c1-2-18-6-13-15-8(18)5-12-11(19)10-14-9(16-17-10)7-3-4-7/h6-7H,2-5H2,1H3,(H,12,19)(H,14,16,17)
InChIKeyKRARFHUYPXLURY-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.22
Rot. Bonds5

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

5-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 106304004) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID106304004
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name5-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCCn1cnnc1CNC(=O)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C11H15N7O/c1-2-18-6-13-15-8(18)5-12-11(19)10-14-9(16-17-10)7-3-4-7/h6-7H,2-5H2,1H3,(H,12,19)(H,14,16,17)
InChIKeyKRARFHUYPXLURY-UHFFFAOYSA-N
XLogP0.22
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103813771
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CID 154774046
5-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 81177029
(5S,7R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115146
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
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5-cyclopropyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 106106202
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71895452
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CID 103813782
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 103813840
5-cyclopropyl-N-(3-methylsulfanylbutyl)-1H-1,2,4-triazole-3-carboxamide
CID 113494223
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 113267423
5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107319577

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3-carboxamide (CID 106304004) is 5-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3-carboxamide is CCn1cnnc1CNC(=O)c1n[nH]c(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is KRARFHUYPXLURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c1-2-18-6-13-15-8(18)5-12-11(19)10-14-9(16-17-10)7-3-4-7/h6-7H,2-5H2,1H3,(H,12,19)(H,14,16,17).
What are the key properties of 5-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3-carboxamide?
5-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 261.29 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 106304004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).