N-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide

C13H18N4O2 — CID 65114221

IUPACN-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C13H18N4O2/c1-3-13(19,4-2)8-14-12(18)9-5-6-10-11(7-9)16-17-15-10/h5-7,19H,3-4,8H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyYKDDRDMIUZUVGA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.24
Rot. Bonds5

About N-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide

N-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide (PubChem CID 65114221) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide
PubChem CID65114221
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C13H18N4O2/c1-3-13(19,4-2)8-14-12(18)9-5-6-10-11(7-9)16-17-15-10/h5-7,19H,3-4,8H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyYKDDRDMIUZUVGA-UHFFFAOYSA-N
XLogP1.24
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide
CID 65112231
3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111483358
N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
CID 65111998
N-[(2R)-2-hydroxypropyl]-2H-benzotriazole-5-carboxamide
CID 83031665
4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide
CID 111483322
N-ethoxy-2H-benzotriazole-5-carboxamide
CID 47143794
N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide
CID 106753405
N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide
CID 167951994
N-(2-ethyl-2-hydroxybutyl)-4-formylbenzamide
CID 111463479
N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide
CID 65112295
2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide
CID 114326677
ethyl 3-[2-(2H-benzotriazole-5-carbonyl)hydrazinyl]-3-oxopropanoate
CID 6737317

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide (CID 65114221) is N-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide is CCC(O)(CC)CNC(=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide?
The InChIKey is YKDDRDMIUZUVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-13(19,4-2)8-14-12(18)9-5-6-10-11(7-9)16-17-15-10/h5-7,19H,3-4,8H2,1-2H3,(H,14,18)(H,15,16,17).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 65114221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).