N,N-dimethyl-2-phenyltriazole-4-carboxamide

C11H12N4O — CID 22103711

IUPACN,N-dimethyl-2-phenyltriazole-4-carboxamide
SMILESCN(C)C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C11H12N4O/c1-14(2)11(16)10-8-12-15(13-10)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyVWWGHKALVQPWQH-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.97
Rot. Bonds2

About N,N-dimethyl-2-phenyltriazole-4-carboxamide

N,N-dimethyl-2-phenyltriazole-4-carboxamide (PubChem CID 22103711) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N,N-dimethyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-phenyltriazole-4-carboxamide
PubChem CID22103711
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN,N-dimethyl-2-phenyltriazole-4-carboxamide
SMILESCN(C)C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C11H12N4O/c1-14(2)11(16)10-8-12-15(13-10)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyVWWGHKALVQPWQH-UHFFFAOYSA-N
XLogP0.97
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-methyl-2-phenyltriazole-4-carboxamide
CID 110702374
3-[ethyl-(2-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61007666
2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid
CID 60830670
N-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide
CID 115771807
N-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide
CID 18114006
1-[methyl-(2-phenyltriazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539616
N-methyl-N-(2-methylcyclohexyl)-2-phenyltriazole-4-carboxamide
CID 134004188
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 75485191
3-methyl-1-(2-phenyltriazol-4-yl)butan-1-one
CID 105077581
N-benzyl-N-(2-methoxyethyl)-2-phenyltriazole-4-carboxamide
CID 8891778
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-phenyltriazole-4-carboxamide
CID 51072889
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide
CID 51177702

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-2-phenyltriazole-4-carboxamide (CID 22103711) is N,N-dimethyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-2-phenyltriazole-4-carboxamide is CN(C)C(=O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N,N-dimethyl-2-phenyltriazole-4-carboxamide?
The InChIKey is VWWGHKALVQPWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-14(2)11(16)10-8-12-15(13-10)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of N,N-dimethyl-2-phenyltriazole-4-carboxamide?
N,N-dimethyl-2-phenyltriazole-4-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 22103711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).