5-methyl-N-prop-2-enyl-2H-triazole-4-carboxamide

C7H10N4O — CID 110691624

IUPAC5-methyl-N-prop-2-enyl-2H-triazole-4-carboxamide
SMILESC=CCNC(=O)c1n[nH]nc1C
InChIInChI=1S/C7H10N4O/c1-3-4-8-7(12)6-5(2)9-11-10-6/h3H,1,4H2,2H3,(H,8,12)(H,9,10,11)
InChIKeyPKYOLRPQBUNCRC-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.03
Rot. Bonds3

About 5-methyl-N-prop-2-enyl-2H-triazole-4-carboxamide

5-methyl-N-prop-2-enyl-2H-triazole-4-carboxamide (PubChem CID 110691624) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-methyl-N-prop-2-enyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-prop-2-enyl-2H-triazole-4-carboxamide
PubChem CID110691624
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name5-methyl-N-prop-2-enyl-2H-triazole-4-carboxamide
SMILESC=CCNC(=O)c1n[nH]nc1C
InChIInChI=1S/C7H10N4O/c1-3-4-8-7(12)6-5(2)9-11-10-6/h3H,1,4H2,2H3,(H,8,12)(H,9,10,11)
InChIKeyPKYOLRPQBUNCRC-UHFFFAOYSA-N
XLogP0.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 110691640
5,6-dimethyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide
CID 10012796
5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide
CID 78859111
5-tert-butyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide
CID 110848079
N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691732
5-methyl-N-[(1R,2R)-2-methylcyclopropyl]-2H-triazole-4-carboxamide
CID 130736115
N'-butan-2-yl-5-methyl-2H-triazole-4-carbohydrazide
CID 6416295
3,5-dimethyl-N-prop-2-enyl-1H-pyrrole-2-carboxamide
CID 131086310
5-methyl-N-(2,4,6-trimethylphenyl)-2H-triazole-4-carboxamide
CID 110691737
2H-benzotriazole;N-prop-2-enylacetamide
CID 175043782
1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54451991
2-methyl-6-oxo-N-prop-2-enyl-1H-pyrimidine-5-carboxamide
CID 110848195

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-prop-2-enyl-2H-triazole-4-carboxamide?
The IUPAC name of 5-methyl-N-prop-2-enyl-2H-triazole-4-carboxamide (CID 110691624) is 5-methyl-N-prop-2-enyl-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-prop-2-enyl-2H-triazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-prop-2-enyl-2H-triazole-4-carboxamide is C=CCNC(=O)c1n[nH]nc1C.
What is the InChIKey of 5-methyl-N-prop-2-enyl-2H-triazole-4-carboxamide?
The InChIKey is PKYOLRPQBUNCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-3-4-8-7(12)6-5(2)9-11-10-6/h3H,1,4H2,2H3,(H,8,12)(H,9,10,11).
What are the key properties of 5-methyl-N-prop-2-enyl-2H-triazole-4-carboxamide?
5-methyl-N-prop-2-enyl-2H-triazole-4-carboxamide has a molecular weight of 166.18 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-prop-2-enyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 110691624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).