N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide

C12H14N4O — CID 110691732

IUPACN-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2n[nH]nc2C)cc1
InChIInChI=1S/C12H14N4O/c1-3-9-4-6-10(7-5-9)13-12(17)11-8(2)14-16-15-11/h4-7H,3H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyFJZAXEOANDCOGP-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.93
Rot. Bonds3

About N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide

N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide (PubChem CID 110691732) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide
PubChem CID110691732
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2n[nH]nc2C)cc1
InChIInChI=1S/C12H14N4O/c1-3-9-4-6-10(7-5-9)13-12(17)11-8(2)14-16-15-11/h4-7H,3H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyFJZAXEOANDCOGP-UHFFFAOYSA-N
XLogP1.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691761
N-(4-ethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857774
N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 756039
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2H-triazole-4-carboxamide
CID 110691808
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
4-amino-5-cyclopropyl-N-(4-ethylphenyl)-1H-pyrazole-3-carboxamide
CID 62077284
N-(4-ethylphenyl)-6-methylpyridazine-3-carboxamide
CID 110705292
N-(4-ethylphenyl)-3-methylfuran-2-carboxamide
CID 18106134
N-(4-ethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281528
N-(4-ethylphenyl)benzamide
CID 774063
5-methyl-N-(2,4,6-trimethylphenyl)-2H-triazole-4-carboxamide
CID 110691737
N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 779767

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide (CID 110691732) is N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide is CCc1ccc(NC(=O)c2n[nH]nc2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide?
The InChIKey is FJZAXEOANDCOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-3-9-4-6-10(7-5-9)13-12(17)11-8(2)14-16-15-11/h4-7H,3H2,1-2H3,(H,13,17)(H,14,15,16).
What are the key properties of N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide?
N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 110691732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).