N-ethoxy-2H-benzotriazole-5-carboxamide

C9H10N4O2 — CID 47143794

IUPACN-ethoxy-2H-benzotriazole-5-carboxamide
SMILESCCONC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C9H10N4O2/c1-2-15-12-9(14)6-3-4-7-8(5-6)11-13-10-7/h3-5H,2H2,1H3,(H,12,14)(H,10,11,13)
InChIKeyHPHDWCAFBWRUIZ-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.64
Rot. Bonds3

About N-ethoxy-2H-benzotriazole-5-carboxamide

N-ethoxy-2H-benzotriazole-5-carboxamide (PubChem CID 47143794) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is N-ethoxy-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-ethoxy-2H-benzotriazole-5-carboxamide
PubChem CID47143794
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC NameN-ethoxy-2H-benzotriazole-5-carboxamide
SMILESCCONC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C9H10N4O2/c1-2-15-12-9(14)6-3-4-7-8(5-6)11-13-10-7/h3-5H,2H2,1H3,(H,12,14)(H,10,11,13)
InChIKeyHPHDWCAFBWRUIZ-UHFFFAOYSA-N
XLogP0.64
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[2-(2H-benzotriazole-5-carbonyl)hydrazinyl]-3-oxopropanoate
CID 6737317
ethyl 3-(2H-benzotriazol-5-yl)-3-oxopropanoate
CID 70925636
methyl 2H-benzotriazole-5-carboxylate
CID 6409672
N'-(4-methoxybenzoyl)-2H-benzotriazole-5-carbohydrazide
CID 24535861
N-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide
CID 65114221
N-cyano-2H-benzotriazole-5-carboxamide
CID 79194038
4-amino-N-ethoxybenzamide
CID 62058413
N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide
CID 17477354
N-[(2R)-2-hydroxypropyl]-2H-benzotriazole-5-carboxamide
CID 83031665
N-ethoxy-2,3-dihydro-1H-indole-5-carboxamide
CID 64974739
4-bromo-N-ethoxy-3-methylbenzamide
CID 115769561
3-amino-4-bromo-N-ethoxybenzamide
CID 107813148

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-ethoxy-2H-benzotriazole-5-carboxamide (CID 47143794) is N-ethoxy-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-ethoxy-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-ethoxy-2H-benzotriazole-5-carboxamide is CCONC(=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-ethoxy-2H-benzotriazole-5-carboxamide?
The InChIKey is HPHDWCAFBWRUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-2-15-12-9(14)6-3-4-7-8(5-6)11-13-10-7/h3-5H,2H2,1H3,(H,12,14)(H,10,11,13).
What are the key properties of N-ethoxy-2H-benzotriazole-5-carboxamide?
N-ethoxy-2H-benzotriazole-5-carboxamide has a molecular weight of 206.20 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 47143794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).