(8aS)-1,4,4a,8a-tetrahydroquinazoline

C8H10N2 — CID 91496825

IUPAC(8aS)-1,4,4a,8a-tetrahydroquinazoline
SMILESC1=CC2CN=CN[C@H]2C=C1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-4,6-8H,5H2,(H,9,10)/t7?,8-/m0/s1
InChIKeyMMGUOZOTOWKCAX-MQWKRIRWSA-N
MW134.18 g/mol
LogP0.73
Rot. Bonds

About (8aS)-1,4,4a,8a-tetrahydroquinazoline

(8aS)-1,4,4a,8a-tetrahydroquinazoline (PubChem CID 91496825) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (8aS)-1,4,4a,8a-tetrahydroquinazoline.

Molecular Properties

Compound Name(8aS)-1,4,4a,8a-tetrahydroquinazoline
PubChem CID91496825
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(8aS)-1,4,4a,8a-tetrahydroquinazoline
SMILESC1=CC2CN=CN[C@H]2C=C1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-4,6-8H,5H2,(H,9,10)/t7?,8-/m0/s1
InChIKeyMMGUOZOTOWKCAX-MQWKRIRWSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,4a,8a-Tetrahydroquinazoline
CID 17911504
2-Methylsulfanyl-1,4,4a,8a-tetrahydroquinazoline
CID 19894656
N,N-dimethyl-3,4,4a,8a-tetrahydroquinazolin-4-amine
CID 53695724
1,4,6,8a-Tetrahydroquinazoline
CID 90688134
1,4,7,8-Tetrahydroquinazoline
CID 91106721
4,4a,9,9a-tetrahydro-1H-cyclohepta[d]pyrimidine
CID 91364002
1,4,4a,5-Tetrahydroquinazoline
CID 91612703
(4S)-4,6-dimethyl-3,4,4a,8a-tetrahydroquinazoline
CID 91805248
8-Methyl-1,4,7,8-tetrahydroquinazoline
CID 135245104
6a,9b-dihydro-1H-perimidine
CID 142198156
4-Methyl-3,8a-dihydroquinazoline
CID 142987055
5-Methyl-1,4,4a,5-tetrahydroquinazolin-4-amine
CID 156226497

Frequently Asked Questions

What is the IUPAC name of (8aS)-1,4,4a,8a-tetrahydroquinazoline?
The IUPAC name of (8aS)-1,4,4a,8a-tetrahydroquinazoline (CID 91496825) is (8aS)-1,4,4a,8a-tetrahydroquinazoline.
What is the SMILES notation for (8aS)-1,4,4a,8a-tetrahydroquinazoline?
The canonical SMILES for (8aS)-1,4,4a,8a-tetrahydroquinazoline is C1=CC2CN=CN[C@H]2C=C1.
What is the InChIKey of (8aS)-1,4,4a,8a-tetrahydroquinazoline?
The InChIKey is MMGUOZOTOWKCAX-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-4,6-8H,5H2,(H,9,10)/t7?,8-/m0/s1.
What are the key properties of (8aS)-1,4,4a,8a-tetrahydroquinazoline?
(8aS)-1,4,4a,8a-tetrahydroquinazoline has a molecular weight of 134.18 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-1,4,4a,8a-tetrahydroquinazoline is sourced from PubChem (CID 91496825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).