5H-quinazolin-1-amine

C8H9N3 — CID 70661977

IUPAC5H-quinazolin-1-amine
SMILESNN1C=NC=C2CC=CC=C21
InChIInChI=1S/C8H9N3/c9-11-6-10-5-7-3-1-2-4-8(7)11/h1-2,4-6H,3,9H2
InChIKeyMARNJZHGFWEULY-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.93
Rot. Bonds

About 5H-quinazolin-1-amine

5H-quinazolin-1-amine (PubChem CID 70661977) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 5H-quinazolin-1-amine.

Molecular Properties

Compound Name5H-quinazolin-1-amine
PubChem CID70661977
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name5H-quinazolin-1-amine
SMILESNN1C=NC=C2CC=CC=C21
InChIInChI=1S/C8H9N3/c9-11-6-10-5-7-3-1-2-4-8(7)11/h1-2,4-6H,3,9H2
InChIKeyMARNJZHGFWEULY-UHFFFAOYSA-N
XLogP0.93
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5H-quinazolin-1-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 5H-quinazolin-1-amine?
The IUPAC name of 5H-quinazolin-1-amine (CID 70661977) is 5H-quinazolin-1-amine.
What is the SMILES notation for 5H-quinazolin-1-amine?
The canonical SMILES for 5H-quinazolin-1-amine is NN1C=NC=C2CC=CC=C21.
What is the InChIKey of 5H-quinazolin-1-amine?
The InChIKey is MARNJZHGFWEULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c9-11-6-10-5-7-3-1-2-4-8(7)11/h1-2,4-6H,3,9H2.
What are the key properties of 5H-quinazolin-1-amine?
5H-quinazolin-1-amine has a molecular weight of 147.18 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-quinazolin-1-amine is sourced from PubChem (CID 70661977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).