5,6,7,8-tetrahydroquinazoline

C8H10N2 — CID 637537

IUPAC5,6,7,8-tetrahydroquinazoline
SMILESc1ncc2c(n1)CCCC2
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h5-6H,1-4H2
InChIKeySMSHIXOEBWOYJS-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.36
Rot. Bonds

About 5,6,7,8-tetrahydroquinazoline

5,6,7,8-tetrahydroquinazoline (PubChem CID 637537) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name5,6,7,8-tetrahydroquinazoline
PubChem CID637537
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name5,6,7,8-tetrahydroquinazoline
SMILESc1ncc2c(n1)CCCC2
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h5-6H,1-4H2
InChIKeySMSHIXOEBWOYJS-UHFFFAOYSA-N
XLogP1.36
TPSA25.78 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 ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 5,6,7,8-tetrahydroquinazoline (CID 637537) is 5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 5,6,7,8-tetrahydroquinazoline is c1ncc2c(n1)CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydroquinazoline?
The InChIKey is SMSHIXOEBWOYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h5-6H,1-4H2.
What are the key properties of 5,6,7,8-tetrahydroquinazoline?
5,6,7,8-tetrahydroquinazoline has a molecular weight of 134.18 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 637537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).