N'-(4-methoxybenzoyl)-2H-benzotriazole-5-carbohydrazide

C15H13N5O3 — CID 24535861

IUPACN'-(4-methoxybenzoyl)-2H-benzotriazole-5-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc3n[nH]nc3c2)cc1
InChIInChI=1S/C15H13N5O3/c1-23-11-5-2-9(3-6-11)14(21)18-19-15(22)10-4-7-12-13(8-10)17-20-16-12/h2-8H,1H3,(H,18,21)(H,19,22)(H,16,17,20)
InChIKeyCYCGCWPQZLONQH-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.04
Rot. Bonds3

About N'-(4-methoxybenzoyl)-2H-benzotriazole-5-carbohydrazide

N'-(4-methoxybenzoyl)-2H-benzotriazole-5-carbohydrazide (PubChem CID 24535861) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is N'-(4-methoxybenzoyl)-2H-benzotriazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methoxybenzoyl)-2H-benzotriazole-5-carbohydrazide
PubChem CID24535861
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC NameN'-(4-methoxybenzoyl)-2H-benzotriazole-5-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc3n[nH]nc3c2)cc1
InChIInChI=1S/C15H13N5O3/c1-23-11-5-2-9(3-6-11)14(21)18-19-15(22)10-4-7-12-13(8-10)17-20-16-12/h2-8H,1H3,(H,18,21)(H,19,22)(H,16,17,20)
InChIKeyCYCGCWPQZLONQH-UHFFFAOYSA-N
XLogP1.04
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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
methyl 2H-benzotriazole-5-carboxylate
CID 6409672
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide
CID 24535877
N-ethoxy-2H-benzotriazole-5-carboxamide
CID 47143794
1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide
CID 30530459
2-N',6-N'-bis(4-methoxybenzoyl)pyridine-2,6-dicarbohydrazide
CID 43070155
3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide
CID 4509106
methyl 3-(2H-benzotriazole-5-carbonylamino)thiophene-2-carboxylate
CID 43422543
1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
CID 3123941
N-cyano-2H-benzotriazole-5-carboxamide
CID 79194038
N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide
CID 17477354

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxybenzoyl)-2H-benzotriazole-5-carbohydrazide?
The IUPAC name of N'-(4-methoxybenzoyl)-2H-benzotriazole-5-carbohydrazide (CID 24535861) is N'-(4-methoxybenzoyl)-2H-benzotriazole-5-carbohydrazide.
What is the SMILES notation for N'-(4-methoxybenzoyl)-2H-benzotriazole-5-carbohydrazide?
The canonical SMILES for N'-(4-methoxybenzoyl)-2H-benzotriazole-5-carbohydrazide is COc1ccc(C(=O)NNC(=O)c2ccc3n[nH]nc3c2)cc1.
What is the InChIKey of N'-(4-methoxybenzoyl)-2H-benzotriazole-5-carbohydrazide?
The InChIKey is CYCGCWPQZLONQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c1-23-11-5-2-9(3-6-11)14(21)18-19-15(22)10-4-7-12-13(8-10)17-20-16-12/h2-8H,1H3,(H,18,21)(H,19,22)(H,16,17,20).
What are the key properties of N'-(4-methoxybenzoyl)-2H-benzotriazole-5-carbohydrazide?
N'-(4-methoxybenzoyl)-2H-benzotriazole-5-carbohydrazide has a molecular weight of 311.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxybenzoyl)-2H-benzotriazole-5-carbohydrazide is sourced from PubChem (CID 24535861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).