N-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide

C18H18N4O3 — CID 46686504

IUPACN-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2cn(-c3ccccc3)nn2)cc1OC
InChIInChI=1S/C18H18N4O3/c1-12-9-16(24-2)17(25-3)10-14(12)19-18(23)15-11-22(21-20-15)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,23)
InChIKeyXQFGPMKAVCQQRK-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.85
Rot. Bonds5

About N-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide

N-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide (PubChem CID 46686504) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide
PubChem CID46686504
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2cn(-c3ccccc3)nn2)cc1OC
InChIInChI=1S/C18H18N4O3/c1-12-9-16(24-2)17(25-3)10-14(12)19-18(23)15-11-22(21-20-15)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,23)
InChIKeyXQFGPMKAVCQQRK-UHFFFAOYSA-N
XLogP2.85
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide
CID 99586321
N-(2,5-dimethylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38951839
N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26209349
N-(2-fluorophenyl)-1-(3-methoxyphenyl)triazole-4-carboxamide
CID 154801343
1-(4-fluorophenyl)-N-(2-methoxydibenzofuran-3-yl)triazole-4-carboxamide
CID 46263215
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-phenyltriazole-4-carbohydrazide
CID 46407897
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-phenyltriazole-4-carboxamide
CID 46686156
N-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 136929474
1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide
CID 43429821
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenyltriazole-4-carboxamide
CID 83097160
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyltriazole-4-carboxamide
CID 43066149
N-(4,5-dimethoxy-2-methylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466633

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide (CID 46686504) is N-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide is COc1cc(C)c(NC(=O)c2cn(-c3ccccc3)nn2)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide?
The InChIKey is XQFGPMKAVCQQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12-9-16(24-2)17(25-3)10-14(12)19-18(23)15-11-22(21-20-15)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,23).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide?
N-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 46686504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).