1-methyl-N-[4-(2-methylpropoxy)phenyl]triazole-4-carboxamide

C14H18N4O2 — CID 110439456

IUPAC1-methyl-N-[4-(2-methylpropoxy)phenyl]triazole-4-carboxamide
SMILESCC(C)COc1ccc(NC(=O)c2cn(C)nn2)cc1
InChIInChI=1S/C14H18N4O2/c1-10(2)9-20-12-6-4-11(5-7-12)15-14(19)13-8-18(3)17-16-13/h4-8,10H,9H2,1-3H3,(H,15,19)
InChIKeyRULFBXSOJZPGAF-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.10
Rot. Bonds5

About 1-methyl-N-[4-(2-methylpropoxy)phenyl]triazole-4-carboxamide

1-methyl-N-[4-(2-methylpropoxy)phenyl]triazole-4-carboxamide (PubChem CID 110439456) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-methyl-N-[4-(2-methylpropoxy)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(2-methylpropoxy)phenyl]triazole-4-carboxamide
PubChem CID110439456
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-methyl-N-[4-(2-methylpropoxy)phenyl]triazole-4-carboxamide
SMILESCC(C)COc1ccc(NC(=O)c2cn(C)nn2)cc1
InChIInChI=1S/C14H18N4O2/c1-10(2)9-20-12-6-4-11(5-7-12)15-14(19)13-8-18(3)17-16-13/h4-8,10H,9H2,1-3H3,(H,15,19)
InChIKeyRULFBXSOJZPGAF-UHFFFAOYSA-N
XLogP2.10
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide
CID 136716966
N-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide
CID 110439460
2-[4-[(1-methyltriazole-4-carbonyl)amino]phenyl]acetic acid
CID 110461928
4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 2994766
2-[4-(2-methylpropoxy)anilino]-2-oxoacetic acid
CID 82496954
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
N-[4-(1H-imidazol-2-yl)phenyl]-1-methyltriazole-4-carboxamide
CID 110471590
N-ethyl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17234354
2-ethoxy-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 4940660
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
N-(6-chloro-3-pyridinyl)-4-(2-methylpropoxy)benzamide
CID 54787953
N-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide
CID 110471581

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(2-methylpropoxy)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[4-(2-methylpropoxy)phenyl]triazole-4-carboxamide (CID 110439456) is 1-methyl-N-[4-(2-methylpropoxy)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(2-methylpropoxy)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(2-methylpropoxy)phenyl]triazole-4-carboxamide is CC(C)COc1ccc(NC(=O)c2cn(C)nn2)cc1.
What is the InChIKey of 1-methyl-N-[4-(2-methylpropoxy)phenyl]triazole-4-carboxamide?
The InChIKey is RULFBXSOJZPGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10(2)9-20-12-6-4-11(5-7-12)15-14(19)13-8-18(3)17-16-13/h4-8,10H,9H2,1-3H3,(H,15,19).
What are the key properties of 1-methyl-N-[4-(2-methylpropoxy)phenyl]triazole-4-carboxamide?
1-methyl-N-[4-(2-methylpropoxy)phenyl]triazole-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(2-methylpropoxy)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 110439456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).