1,2,5,8-tetrahydroquinazoline

C8H10N2 — CID 173072201

IUPAC1,2,5,8-tetrahydroquinazoline
SMILESC1=CCC2=C(C=NCN2)C1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-2,5,10H,3-4,6H2
InChIKeyDRKPSIKPIUXHBH-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.22
Rot. Bonds

About 1,2,5,8-tetrahydroquinazoline

1,2,5,8-tetrahydroquinazoline (PubChem CID 173072201) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1,2,5,8-tetrahydroquinazoline.

Molecular Properties

Compound Name1,2,5,8-tetrahydroquinazoline
PubChem CID173072201
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1,2,5,8-tetrahydroquinazoline
SMILESC1=CCC2=C(C=NCN2)C1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-2,5,10H,3-4,6H2
InChIKeyDRKPSIKPIUXHBH-UHFFFAOYSA-N
XLogP1.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,5,8-tetrahydroquinazoline?
The IUPAC name of 1,2,5,8-tetrahydroquinazoline (CID 173072201) is 1,2,5,8-tetrahydroquinazoline.
What is the SMILES notation for 1,2,5,8-tetrahydroquinazoline?
The canonical SMILES for 1,2,5,8-tetrahydroquinazoline is C1=CCC2=C(C=NCN2)C1.
What is the InChIKey of 1,2,5,8-tetrahydroquinazoline?
The InChIKey is DRKPSIKPIUXHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-2,5,10H,3-4,6H2.
What are the key properties of 1,2,5,8-tetrahydroquinazoline?
1,2,5,8-tetrahydroquinazoline has a molecular weight of 134.18 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,8-tetrahydroquinazoline is sourced from PubChem (CID 173072201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).