1,5,6,7-tetrahydroquinazolin-3-ium

C8H11N2+ — CID 173071778

IUPAC1,5,6,7-tetrahydroquinazolin-3-ium
SMILESC1=[NH+]C=C2CCCC=C2N1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h4-6H,1-3H2,(H,9,10)/p+1
InChIKeyLVKCGBUMVDAYLM-UHFFFAOYSA-O
MW135.19 g/mol
LogP-0.35
Rot. Bonds

About 1,5,6,7-tetrahydroquinazolin-3-ium

1,5,6,7-tetrahydroquinazolin-3-ium (PubChem CID 173071778) has the molecular formula C8H11N2+ and a molecular weight of 135.19 g/mol. Its IUPAC name is 1,5,6,7-tetrahydroquinazolin-3-ium.

Molecular Properties

Compound Name1,5,6,7-tetrahydroquinazolin-3-ium
PubChem CID173071778
Molecular FormulaC8H11N2+
Molecular Weight135.19 g/mol
Exact Mass135.09
IUPAC Name1,5,6,7-tetrahydroquinazolin-3-ium
SMILESC1=[NH+]C=C2CCCC=C2N1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h4-6H,1-3H2,(H,9,10)/p+1
InChIKeyLVKCGBUMVDAYLM-UHFFFAOYSA-O
XLogP-0.35
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1,5,6,7-tetrahydroquinazolin-3-ium 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 1,5,6,7-tetrahydroquinazolin-3-ium?
The IUPAC name of 1,5,6,7-tetrahydroquinazolin-3-ium (CID 173071778) is 1,5,6,7-tetrahydroquinazolin-3-ium.
What is the SMILES notation for 1,5,6,7-tetrahydroquinazolin-3-ium?
The canonical SMILES for 1,5,6,7-tetrahydroquinazolin-3-ium is C1=[NH+]C=C2CCCC=C2N1.
What is the InChIKey of 1,5,6,7-tetrahydroquinazolin-3-ium?
The InChIKey is LVKCGBUMVDAYLM-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h4-6H,1-3H2,(H,9,10)/p+1.
What are the key properties of 1,5,6,7-tetrahydroquinazolin-3-ium?
1,5,6,7-tetrahydroquinazolin-3-ium has a molecular weight of 135.19 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,7-tetrahydroquinazolin-3-ium is sourced from PubChem (CID 173071778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).