N-(2-ethylphenyl)-1-methyltriazole-4-carboxamide

C12H14N4O — CID 45497225

IUPACN-(2-ethylphenyl)-1-methyltriazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cn(C)nn1
InChIInChI=1S/C12H14N4O/c1-3-9-6-4-5-7-10(9)13-12(17)11-8-16(2)15-14-11/h4-8H,3H2,1-2H3,(H,13,17)
InChIKeyIVSKHSSSBKOXGZ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.63
Rot. Bonds3

About N-(2-ethylphenyl)-1-methyltriazole-4-carboxamide

N-(2-ethylphenyl)-1-methyltriazole-4-carboxamide (PubChem CID 45497225) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-methyltriazole-4-carboxamide
PubChem CID45497225
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(2-ethylphenyl)-1-methyltriazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cn(C)nn1
InChIInChI=1S/C12H14N4O/c1-3-9-6-4-5-7-10(9)13-12(17)11-8-16(2)15-14-11/h4-8H,3H2,1-2H3,(H,13,17)
InChIKeyIVSKHSSSBKOXGZ-UHFFFAOYSA-N
XLogP1.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide
CID 60859186
N-(2-ethylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 55042896
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
2-[4-[(1-methyltriazole-4-carbonyl)amino]phenyl]acetic acid
CID 110461928
N-(4-hydroxy-2-methylphenyl)-1-methyltriazole-4-carboxamide
CID 136716967
N-(2-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 62046507
2-N,4-N-bis(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092181
6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 75538748
4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide
CID 35522358
1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide
CID 75419659
2,6-dichloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 26208762
N-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide
CID 110439460

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-methyltriazole-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1-methyltriazole-4-carboxamide (CID 45497225) is N-(2-ethylphenyl)-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1-methyltriazole-4-carboxamide is CCc1ccccc1NC(=O)c1cn(C)nn1.
What is the InChIKey of N-(2-ethylphenyl)-1-methyltriazole-4-carboxamide?
The InChIKey is IVSKHSSSBKOXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-3-9-6-4-5-7-10(9)13-12(17)11-8-16(2)15-14-11/h4-8H,3H2,1-2H3,(H,13,17).
What are the key properties of N-(2-ethylphenyl)-1-methyltriazole-4-carboxamide?
N-(2-ethylphenyl)-1-methyltriazole-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 45497225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).