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

C12H16N6O — CID 106106202

IUPAC5-cyclopropyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCn1ccc(CCNC(=O)c2n[nH]c(C3CC3)n2)n1
InChIInChI=1S/C12H16N6O/c1-18-7-5-9(17-18)4-6-13-12(19)11-14-10(15-16-11)8-2-3-8/h5,7-8H,2-4,6H2,1H3,(H,13,19)(H,14,15,16)
InChIKeyVULNZTIFFFCLCY-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.39
Rot. Bonds5

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

5-cyclopropyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 106106202) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID106106202
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name5-cyclopropyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCn1ccc(CCNC(=O)c2n[nH]c(C3CC3)n2)n1
InChIInChI=1S/C12H16N6O/c1-18-7-5-9(17-18)4-6-13-12(19)11-14-10(15-16-11)8-2-3-8/h5,7-8H,2-4,6H2,1H3,(H,13,19)(H,14,15,16)
InChIKeyVULNZTIFFFCLCY-UHFFFAOYSA-N
XLogP0.39
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 106106200
5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 107854489
1-[2-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496294
5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107319577
5-cyclopropyl-N-(4-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 106137462
5-cyclopropyl-N-(3-methylsulfanylbutyl)-1H-1,2,4-triazole-3-carboxamide
CID 113494223
5-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 106106166
N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 106106203
5-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 106106156
5-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 81177029
5-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 106304004
6-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 114144108

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide (CID 106106202) is 5-cyclopropyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide is Cn1ccc(CCNC(=O)c2n[nH]c(C3CC3)n2)n1.
What is the InChIKey of 5-cyclopropyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is VULNZTIFFFCLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-18-7-5-9(17-18)4-6-13-12(19)11-14-10(15-16-11)8-2-3-8/h5,7-8H,2-4,6H2,1H3,(H,13,19)(H,14,15,16).
What are the key properties of 5-cyclopropyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide?
5-cyclopropyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 106106202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).