1,4,5,8-tetrahydroquinazoline

C8H10N2 — CID 118369126

IUPAC1,4,5,8-tetrahydroquinazoline
SMILESC1=CCC2=C(C1)CN=CN2
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-2,6H,3-5H2,(H,9,10)
InChIKeyLRASKTVFJBREKO-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.22
Rot. Bonds

About 1,4,5,8-tetrahydroquinazoline

1,4,5,8-tetrahydroquinazoline (PubChem CID 118369126) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1,4,5,8-tetrahydroquinazoline.

Molecular Properties

Compound Name1,4,5,8-tetrahydroquinazoline
PubChem CID118369126
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1,4,5,8-tetrahydroquinazoline
SMILESC1=CCC2=C(C1)CN=CN2
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-2,6H,3-5H2,(H,9,10)
InChIKeyLRASKTVFJBREKO-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 1,4,5,8-tetrahydroquinazoline?
The IUPAC name of 1,4,5,8-tetrahydroquinazoline (CID 118369126) is 1,4,5,8-tetrahydroquinazoline.
What is the SMILES notation for 1,4,5,8-tetrahydroquinazoline?
The canonical SMILES for 1,4,5,8-tetrahydroquinazoline is C1=CCC2=C(C1)CN=CN2.
What is the InChIKey of 1,4,5,8-tetrahydroquinazoline?
The InChIKey is LRASKTVFJBREKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-2,6H,3-5H2,(H,9,10).
What are the key properties of 1,4,5,8-tetrahydroquinazoline?
1,4,5,8-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 1,4,5,8-tetrahydroquinazoline is sourced from PubChem (CID 118369126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).