1,4,4a,5-tetrahydroquinazoline

C8H10N2 — CID 91612703

IUPAC1,4,4a,5-tetrahydroquinazoline
SMILESC1=CCC2CN=CNC2=C1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-2,4,6-7H,3,5H2,(H,9,10)
InChIKeyWVQQWVMQHFZYET-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.08
Rot. Bonds

About 1,4,4a,5-tetrahydroquinazoline

1,4,4a,5-tetrahydroquinazoline (PubChem CID 91612703) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1,4,4a,5-tetrahydroquinazoline.

Molecular Properties

Compound Name1,4,4a,5-tetrahydroquinazoline
PubChem CID91612703
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1,4,4a,5-tetrahydroquinazoline
SMILESC1=CCC2CN=CNC2=C1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-2,4,6-7H,3,5H2,(H,9,10)
InChIKeyWVQQWVMQHFZYET-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-Dimethyl-3,4,7,8-tetrahydroquinazoline
CID 135393541
1,4,4a,8a-Tetrahydroquinazoline
CID 17911504
N,N-dimethyl-3,4,4a,8a-tetrahydroquinazolin-4-amine
CID 53695724
1,4,6,7-Tetrahydroquinazoline
CID 91013130
1,4,7,8-Tetrahydroquinazoline
CID 91106721
1,4,4a,5-Tetrahydroquinazolin-2-ylmethanimine
CID 91150477
1,4,5,6-Tetrahydroquinazoline
CID 91430266
(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
8,9-dihydro-1H-perimidine
CID 129044407
8-Methyl-1,4,7,8-tetrahydroquinazoline
CID 135245104

Frequently Asked Questions

What is the IUPAC name of 1,4,4a,5-tetrahydroquinazoline?
The IUPAC name of 1,4,4a,5-tetrahydroquinazoline (CID 91612703) is 1,4,4a,5-tetrahydroquinazoline.
What is the SMILES notation for 1,4,4a,5-tetrahydroquinazoline?
The canonical SMILES for 1,4,4a,5-tetrahydroquinazoline is C1=CCC2CN=CNC2=C1.
What is the InChIKey of 1,4,4a,5-tetrahydroquinazoline?
The InChIKey is WVQQWVMQHFZYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-2,4,6-7H,3,5H2,(H,9,10).
What are the key properties of 1,4,4a,5-tetrahydroquinazoline?
1,4,4a,5-tetrahydroquinazoline has a molecular weight of 134.18 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4a,5-tetrahydroquinazoline is sourced from PubChem (CID 91612703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).