4,4a,5,6-tetrahydroquinazoline

C8H10N2 — CID 173071629

IUPAC4,4a,5,6-tetrahydroquinazoline
SMILESC1=CC2=NC=NCC2CC1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h2,4,6-7H,1,3,5H2
InChIKeyAOEYFNJNFGBMDM-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.44
Rot. Bonds

About 4,4a,5,6-tetrahydroquinazoline

4,4a,5,6-tetrahydroquinazoline (PubChem CID 173071629) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 4,4a,5,6-tetrahydroquinazoline.

Molecular Properties

Compound Name4,4a,5,6-tetrahydroquinazoline
PubChem CID173071629
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name4,4a,5,6-tetrahydroquinazoline
SMILESC1=CC2=NC=NCC2CC1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h2,4,6-7H,1,3,5H2
InChIKeyAOEYFNJNFGBMDM-UHFFFAOYSA-N
XLogP1.44
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4a,5,6-tetrahydroquinazoline?
The IUPAC name of 4,4a,5,6-tetrahydroquinazoline (CID 173071629) is 4,4a,5,6-tetrahydroquinazoline.
What is the SMILES notation for 4,4a,5,6-tetrahydroquinazoline?
The canonical SMILES for 4,4a,5,6-tetrahydroquinazoline is C1=CC2=NC=NCC2CC1.
What is the InChIKey of 4,4a,5,6-tetrahydroquinazoline?
The InChIKey is AOEYFNJNFGBMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h2,4,6-7H,1,3,5H2.
What are the key properties of 4,4a,5,6-tetrahydroquinazoline?
4,4a,5,6-tetrahydroquinazoline has a molecular weight of 134.18 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a,5,6-tetrahydroquinazoline is sourced from PubChem (CID 173071629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).