4,6,7,8-tetrahydroquinazoline

C8H10N2 — CID 175263259

IUPAC4,6,7,8-tetrahydroquinazoline
SMILESC1=NCC2=CCCCC2=N1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h3,6H,1-2,4-5H2
InChIKeyIOLPYJJNSQNNMX-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.58
Rot. Bonds

About 4,6,7,8-tetrahydroquinazoline

4,6,7,8-tetrahydroquinazoline (PubChem CID 175263259) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 4,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4,6,7,8-tetrahydroquinazoline
PubChem CID175263259
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name4,6,7,8-tetrahydroquinazoline
SMILESC1=NCC2=CCCCC2=N1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h3,6H,1-2,4-5H2
InChIKeyIOLPYJJNSQNNMX-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4,6,7,8-tetrahydroquinazoline (CID 175263259) is 4,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4,6,7,8-tetrahydroquinazoline is C1=NCC2=CCCCC2=N1.
What is the InChIKey of 4,6,7,8-tetrahydroquinazoline?
The InChIKey is IOLPYJJNSQNNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h3,6H,1-2,4-5H2.
What are the key properties of 4,6,7,8-tetrahydroquinazoline?
4,6,7,8-tetrahydroquinazoline has a molecular weight of 134.18 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 175263259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).