5,6,7,8-tetrahydroquinazolin-4-amine

C8H11N3 — CID 45079028

IUPAC5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1ncnc2c1CCCC2
InChIInChI=1S/C8H11N3/c9-8-6-3-1-2-4-7(6)10-5-11-8/h5H,1-4H2,(H2,9,10,11)
InChIKeyJNNNEXWZHCXUOD-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.94
Rot. Bonds

About 5,6,7,8-tetrahydroquinazolin-4-amine

5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 45079028) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID45079028
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1ncnc2c1CCCC2
InChIInChI=1S/C8H11N3/c9-8-6-3-1-2-4-7(6)10-5-11-8/h5H,1-4H2,(H2,9,10,11)
InChIKeyJNNNEXWZHCXUOD-UHFFFAOYSA-N
XLogP0.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,6,7,8-tetrahydroquinazolin-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 5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 5,6,7,8-tetrahydroquinazolin-4-amine (CID 45079028) is 5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 5,6,7,8-tetrahydroquinazolin-4-amine is Nc1ncnc2c1CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is JNNNEXWZHCXUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c9-8-6-3-1-2-4-7(6)10-5-11-8/h5H,1-4H2,(H2,9,10,11).
What are the key properties of 5,6,7,8-tetrahydroquinazolin-4-amine?
5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 149.20 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 45079028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).