1,4,6,8a-tetrahydroquinazoline

C8H10N2 — CID 90688134

IUPAC1,4,6,8a-tetrahydroquinazoline
SMILESC1=CC2NC=NCC2=CC1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h2-4,6,8H,1,5H2,(H,9,10)
InChIKeyHKOCTOXRQQVOQB-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.87
Rot. Bonds

About 1,4,6,8a-tetrahydroquinazoline

1,4,6,8a-tetrahydroquinazoline (PubChem CID 90688134) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1,4,6,8a-tetrahydroquinazoline.

Molecular Properties

Compound Name1,4,6,8a-tetrahydroquinazoline
PubChem CID90688134
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1,4,6,8a-tetrahydroquinazoline
SMILESC1=CC2NC=NCC2=CC1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h2-4,6,8H,1,5H2,(H,9,10)
InChIKeyHKOCTOXRQQVOQB-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4,4a,8a-Tetrahydroquinazoline
CID 17911504
N,N-dimethyl-3,4,4a,8a-tetrahydroquinazolin-4-amine
CID 53695724
1,4,6,7,8,8a-Hexahydroquinazoline
CID 90790990
3,5,8,8a-Tetrahydroquinazoline
CID 90943814
1,4,7,8-Tetrahydroquinazoline
CID 91106721
(8aS)-1,4,4a,8a-tetrahydroquinazoline
CID 91496825
(4S)-4,6-dimethyl-3,4,4a,8a-tetrahydroquinazoline
CID 91805248
1,4,5,8-Tetrahydroquinazoline
CID 118369126
8-Methyl-1,4,7,8-tetrahydroquinazoline
CID 135245104
4-Methyl-3,8a-dihydroquinazoline
CID 142987055
(5Z,6R)-5-ethylidene-6-methyl-4,6-dihydro-1H-pyrimidine
CID 155371544
6-[(1Z)-buta-1,3-dienyl]-5-methyl-1,4,5,6-tetrahydropyrimidine
CID 163745590

Frequently Asked Questions

What is the IUPAC name of 1,4,6,8a-tetrahydroquinazoline?
The IUPAC name of 1,4,6,8a-tetrahydroquinazoline (CID 90688134) is 1,4,6,8a-tetrahydroquinazoline.
What is the SMILES notation for 1,4,6,8a-tetrahydroquinazoline?
The canonical SMILES for 1,4,6,8a-tetrahydroquinazoline is C1=CC2NC=NCC2=CC1.
What is the InChIKey of 1,4,6,8a-tetrahydroquinazoline?
The InChIKey is HKOCTOXRQQVOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h2-4,6,8H,1,5H2,(H,9,10).
What are the key properties of 1,4,6,8a-tetrahydroquinazoline?
1,4,6,8a-tetrahydroquinazoline has a molecular weight of 134.18 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6,8a-tetrahydroquinazoline is sourced from PubChem (CID 90688134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).