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

C10H14N6O — CID 106106200

IUPAC5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NCCc2ccn(C)n2)n[nH]1
InChIInChI=1S/C10H14N6O/c1-7-12-9(14-13-7)10(17)11-5-3-8-4-6-16(2)15-8/h4,6H,3,5H2,1-2H3,(H,11,17)(H,12,13,14)
InChIKeyVFZBQYHUYIBJLY-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.18
Rot. Bonds4

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

5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 106106200) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID106106200
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NCCc2ccn(C)n2)n[nH]1
InChIInChI=1S/C10H14N6O/c1-7-12-9(14-13-7)10(17)11-5-3-8-4-6-16(2)15-8/h4,6H,3,5H2,1-2H3,(H,11,17)(H,12,13,14)
InChIKeyVFZBQYHUYIBJLY-UHFFFAOYSA-N
XLogP-0.18
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 106106202
N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 106106203
N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 113434600
5-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 106106166
5-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 106106156
2-hydrazinyl-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 106106434
2-(ethylamino)-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 106106391
6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 104627180
6-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide
CID 106106375
6-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 114144108
4-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 104627123
2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103857

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide (CID 106106200) is 5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)NCCc2ccn(C)n2)n[nH]1.
What is the InChIKey of 5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is VFZBQYHUYIBJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-7-12-9(14-13-7)10(17)11-5-3-8-4-6-16(2)15-8/h4,6H,3,5H2,1-2H3,(H,11,17)(H,12,13,14).
What are the key properties of 5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide?
5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 234.26 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 106106200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).