N,3-dimethyl-N-phenylbenzotriazole-5-carboxamide

C15H14N4O — CID 136530360

IUPACN,3-dimethyl-N-phenylbenzotriazole-5-carboxamide
SMILESCN(C(=O)c1ccc2nnn(C)c2c1)c1ccccc1
InChIInChI=1S/C15H14N4O/c1-18(12-6-4-3-5-7-12)15(20)11-8-9-13-14(10-11)19(2)17-16-13/h3-10H,1-2H3
InChIKeyGIEBWNIVHJBCLF-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.24
Rot. Bonds2

About N,3-dimethyl-N-phenylbenzotriazole-5-carboxamide

N,3-dimethyl-N-phenylbenzotriazole-5-carboxamide (PubChem CID 136530360) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N,3-dimethyl-N-phenylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-phenylbenzotriazole-5-carboxamide
PubChem CID136530360
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN,3-dimethyl-N-phenylbenzotriazole-5-carboxamide
SMILESCN(C(=O)c1ccc2nnn(C)c2c1)c1ccccc1
InChIInChI=1S/C15H14N4O/c1-18(12-6-4-3-5-7-12)15(20)11-8-9-13-14(10-11)19(2)17-16-13/h3-10H,1-2H3
InChIKeyGIEBWNIVHJBCLF-UHFFFAOYSA-N
XLogP2.24
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 59303850
CID 59303850
N,1-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 95967901
N,1-dimethyl-N-(6-phenylpyridazin-3-yl)benzotriazole-5-carboxamide
CID 71851140
3,4-dihydroxy-N-methyl-N-phenylbenzamide
CID 113199261
2-(benzotriazol-1-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 3770861
6-chloro-N-methyl-N-phenylbenzotriazole-1-carboxamide
CID 66682959
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
ethyl 4-[methyl-[4-(3-methylbenzotriazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoate
CID 156778743
CID 173432275
CID 173432275
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
3-[4-(dimethylamino)phenyl]benzotriazole-5-carboxylic acid
CID 82768971
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N,3-dimethylbenzotriazole-5-carboxamide
CID 128982032

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-phenylbenzotriazole-5-carboxamide?
The IUPAC name of N,3-dimethyl-N-phenylbenzotriazole-5-carboxamide (CID 136530360) is N,3-dimethyl-N-phenylbenzotriazole-5-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-phenylbenzotriazole-5-carboxamide?
The canonical SMILES for N,3-dimethyl-N-phenylbenzotriazole-5-carboxamide is CN(C(=O)c1ccc2nnn(C)c2c1)c1ccccc1.
What is the InChIKey of N,3-dimethyl-N-phenylbenzotriazole-5-carboxamide?
The InChIKey is GIEBWNIVHJBCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-18(12-6-4-3-5-7-12)15(20)11-8-9-13-14(10-11)19(2)17-16-13/h3-10H,1-2H3.
What are the key properties of N,3-dimethyl-N-phenylbenzotriazole-5-carboxamide?
N,3-dimethyl-N-phenylbenzotriazole-5-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-phenylbenzotriazole-5-carboxamide is sourced from PubChem (CID 136530360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).