N-(2,4-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine

C16H23N5 — CID 80907681

IUPACN-(2,4-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine
SMILESCC1CCC(Nc2nc(NN)nc3ccccc23)C(C)C1
InChIInChI=1S/C16H23N5/c1-10-7-8-13(11(2)9-10)18-15-12-5-3-4-6-14(12)19-16(20-15)21-17/h3-6,10-11,13H,7-9,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyXNWHEDNERHCKGB-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.15
Rot. Bonds3

About N-(2,4-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine

N-(2,4-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine (PubChem CID 80907681) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine
PubChem CID80907681
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-(2,4-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine
SMILESCC1CCC(Nc2nc(NN)nc3ccccc23)C(C)C1
InChIInChI=1S/C16H23N5/c1-10-7-8-13(11(2)9-10)18-15-12-5-3-4-6-14(12)19-16(20-15)21-17/h3-6,10-11,13H,7-9,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyXNWHEDNERHCKGB-UHFFFAOYSA-N
XLogP3.15
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,4-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine 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-(2,4-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine (CID 80907681) is N-(2,4-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine is CC1CCC(Nc2nc(NN)nc3ccccc23)C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine?
The InChIKey is XNWHEDNERHCKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-10-7-8-13(11(2)9-10)18-15-12-5-3-4-6-14(12)19-16(20-15)21-17/h3-6,10-11,13H,7-9,17H2,1-2H3,(H2,18,19,20,21).
What are the key properties of N-(2,4-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine?
N-(2,4-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine is sourced from PubChem (CID 80907681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).