N,N-dimethylbenzotriazole-1-carboxamide

C9H10N4O — CID 735662

IUPACN,N-dimethylbenzotriazole-1-carboxamide
SMILESCN(C)C(=O)n1nnc2ccccc21
InChIInChI=1S/C9H10N4O/c1-12(2)9(14)13-8-6-4-3-5-7(8)10-11-13/h3-6H,1-2H3
InChIKeySZDIPSOWTZADHA-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.96
Rot. Bonds

About N,N-dimethylbenzotriazole-1-carboxamide

N,N-dimethylbenzotriazole-1-carboxamide (PubChem CID 735662) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is N,N-dimethylbenzotriazole-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethylbenzotriazole-1-carboxamide
PubChem CID735662
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC NameN,N-dimethylbenzotriazole-1-carboxamide
SMILESCN(C)C(=O)n1nnc2ccccc21
InChIInChI=1S/C9H10N4O/c1-12(2)9(14)13-8-6-4-3-5-7(8)10-11-13/h3-6H,1-2H3
InChIKeySZDIPSOWTZADHA-UHFFFAOYSA-N
XLogP0.96
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbenzotriazole-1-carboxamide?
The IUPAC name of N,N-dimethylbenzotriazole-1-carboxamide (CID 735662) is N,N-dimethylbenzotriazole-1-carboxamide.
What is the SMILES notation for N,N-dimethylbenzotriazole-1-carboxamide?
The canonical SMILES for N,N-dimethylbenzotriazole-1-carboxamide is CN(C)C(=O)n1nnc2ccccc21.
What is the InChIKey of N,N-dimethylbenzotriazole-1-carboxamide?
The InChIKey is SZDIPSOWTZADHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-12(2)9(14)13-8-6-4-3-5-7(8)10-11-13/h3-6H,1-2H3.
What are the key properties of N,N-dimethylbenzotriazole-1-carboxamide?
N,N-dimethylbenzotriazole-1-carboxamide has a molecular weight of 190.21 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbenzotriazole-1-carboxamide is sourced from PubChem (CID 735662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).