3,8a-dihydroquinazolin-8-amine

C8H9N3 — CID 134527618

IUPAC3,8a-dihydroquinazolin-8-amine
SMILESNC1=CC=CC2=CNC=NC12
InChIInChI=1S/C8H9N3/c9-7-3-1-2-6-4-10-5-11-8(6)7/h1-5,8H,9H2,(H,10,11)
InChIKeyZTBUEDDTMRRNBF-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.28
Rot. Bonds

About 3,8a-dihydroquinazolin-8-amine

3,8a-dihydroquinazolin-8-amine (PubChem CID 134527618) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 3,8a-dihydroquinazolin-8-amine.

Molecular Properties

Compound Name3,8a-dihydroquinazolin-8-amine
PubChem CID134527618
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name3,8a-dihydroquinazolin-8-amine
SMILESNC1=CC=CC2=CNC=NC12
InChIInChI=1S/C8H9N3/c9-7-3-1-2-6-4-10-5-11-8(6)7/h1-5,8H,9H2,(H,10,11)
InChIKeyZTBUEDDTMRRNBF-UHFFFAOYSA-N
XLogP0.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,8a-dihydroquinazolin-8-amine?
The IUPAC name of 3,8a-dihydroquinazolin-8-amine (CID 134527618) is 3,8a-dihydroquinazolin-8-amine.
What is the SMILES notation for 3,8a-dihydroquinazolin-8-amine?
The canonical SMILES for 3,8a-dihydroquinazolin-8-amine is NC1=CC=CC2=CNC=NC12.
What is the InChIKey of 3,8a-dihydroquinazolin-8-amine?
The InChIKey is ZTBUEDDTMRRNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c9-7-3-1-2-6-4-10-5-11-8(6)7/h1-5,8H,9H2,(H,10,11).
What are the key properties of 3,8a-dihydroquinazolin-8-amine?
3,8a-dihydroquinazolin-8-amine has a molecular weight of 147.18 g/mol, XLogP of 0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8a-dihydroquinazolin-8-amine is sourced from PubChem (CID 134527618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).