N,N-diethyl-1-methylbenzotriazole-5-carboxamide

C12H16N4O — CID 900755

IUPACN,N-diethyl-1-methylbenzotriazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)nnn2C
InChIInChI=1S/C12H16N4O/c1-4-16(5-2)12(17)9-6-7-11-10(8-9)13-14-15(11)3/h6-8H,4-5H2,1-3H3
InChIKeyYNYCCSJCBDJCKR-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.45
Rot. Bonds3

About N,N-diethyl-1-methylbenzotriazole-5-carboxamide

N,N-diethyl-1-methylbenzotriazole-5-carboxamide (PubChem CID 900755) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N,N-diethyl-1-methylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-methylbenzotriazole-5-carboxamide
PubChem CID900755
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN,N-diethyl-1-methylbenzotriazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)nnn2C
InChIInChI=1S/C12H16N4O/c1-4-16(5-2)12(17)9-6-7-11-10(8-9)13-14-15(11)3/h6-8H,4-5H2,1-3H3
InChIKeyYNYCCSJCBDJCKR-UHFFFAOYSA-N
XLogP1.45
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzoyl-1H-benzotriazole
CID 570059
2-(1H-1,2,3-Benzotriazol-1-yl)-1-phenylethan-1-one
CID 761839
2-(Benzotriazol-1-yl)-1-[4-(diethylamino)phenyl]ethanone
CID 15959243
N-benzyl-N-isopropyl-2,1,3-benzothiadiazole-5-carboxamide
CID 2814456
1H-benzotriazol-1-yl[4-(dimethylamino)phenyl]methanone
CID 694547
1-methyl-N-phenyl-1H-benzotriazole-5-carboxamide
CID 900745
1-Methyl-1H-benzotriazole-5-carboxylic acid (2-fluoro-phenyl)-amide
CID 1088543
1-(4-Methylbenzoyl)-1H-benzotriazole
CID 827004
1-(3-methylbenzoyl)-1H-1,2,3-benzotriazole
CID 834536
2-(Benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanone
CID 15959246
2-(Benzotriazol-1-yl)-1-(4-dimethylaminophenyl)ethanone
CID 15959247
N-(tert-butyl)-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide
CID 644913

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-methylbenzotriazole-5-carboxamide?
The IUPAC name of N,N-diethyl-1-methylbenzotriazole-5-carboxamide (CID 900755) is N,N-diethyl-1-methylbenzotriazole-5-carboxamide.
What is the SMILES notation for N,N-diethyl-1-methylbenzotriazole-5-carboxamide?
The canonical SMILES for N,N-diethyl-1-methylbenzotriazole-5-carboxamide is CCN(CC)C(=O)c1ccc2c(c1)nnn2C.
What is the InChIKey of N,N-diethyl-1-methylbenzotriazole-5-carboxamide?
The InChIKey is YNYCCSJCBDJCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-4-16(5-2)12(17)9-6-7-11-10(8-9)13-14-15(11)3/h6-8H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-1-methylbenzotriazole-5-carboxamide?
N,N-diethyl-1-methylbenzotriazole-5-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-methylbenzotriazole-5-carboxamide is sourced from PubChem (CID 900755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).