N'-[4-(benzotriazol-1-ylmethyl)benzoyl]-2-methylfuran-3-carbohydrazide

C20H17N5O3 — CID 9086106

IUPACN'-[4-(benzotriazol-1-ylmethyl)benzoyl]-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)c1ccc(Cn2nnc3ccccc32)cc1
InChIInChI=1S/C20H17N5O3/c1-13-16(10-11-28-13)20(27)23-22-19(26)15-8-6-14(7-9-15)12-25-18-5-3-2-4-17(18)21-24-25/h2-11H,12H2,1H3,(H,22,26)(H,23,27)
InChIKeyAQWAYBXSJJGTDK-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.46
Rot. Bonds4

About N'-[4-(benzotriazol-1-ylmethyl)benzoyl]-2-methylfuran-3-carbohydrazide

N'-[4-(benzotriazol-1-ylmethyl)benzoyl]-2-methylfuran-3-carbohydrazide (PubChem CID 9086106) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N'-[4-(benzotriazol-1-ylmethyl)benzoyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(benzotriazol-1-ylmethyl)benzoyl]-2-methylfuran-3-carbohydrazide
PubChem CID9086106
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN'-[4-(benzotriazol-1-ylmethyl)benzoyl]-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)c1ccc(Cn2nnc3ccccc32)cc1
InChIInChI=1S/C20H17N5O3/c1-13-16(10-11-28-13)20(27)23-22-19(26)15-8-6-14(7-9-15)12-25-18-5-3-2-4-17(18)21-24-25/h2-11H,12H2,1H3,(H,22,26)(H,23,27)
InChIKeyAQWAYBXSJJGTDK-UHFFFAOYSA-N
XLogP2.46
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[4-(benzotriazol-1-ylmethyl)benzoyl]-2-methylfuran-3-carbohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[4-(benzotriazol-1-ylmethyl)benzoyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of N'-[4-(benzotriazol-1-ylmethyl)benzoyl]-2-methylfuran-3-carbohydrazide (CID 9086106) is N'-[4-(benzotriazol-1-ylmethyl)benzoyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[4-(benzotriazol-1-ylmethyl)benzoyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for N'-[4-(benzotriazol-1-ylmethyl)benzoyl]-2-methylfuran-3-carbohydrazide is Cc1occc1C(=O)NNC(=O)c1ccc(Cn2nnc3ccccc32)cc1.
What is the InChIKey of N'-[4-(benzotriazol-1-ylmethyl)benzoyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is AQWAYBXSJJGTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-13-16(10-11-28-13)20(27)23-22-19(26)15-8-6-14(7-9-15)12-25-18-5-3-2-4-17(18)21-24-25/h2-11H,12H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N'-[4-(benzotriazol-1-ylmethyl)benzoyl]-2-methylfuran-3-carbohydrazide?
N'-[4-(benzotriazol-1-ylmethyl)benzoyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 375.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(benzotriazol-1-ylmethyl)benzoyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 9086106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).