2,6,7,8-tetrahydroquinazoline

C8H10N2 — CID 91514026

IUPAC2,6,7,8-tetrahydroquinazoline
SMILESC1=NCN=C2CCCC=C12
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h3,5H,1-2,4,6H2
InChIKeyXQCSKDNJRSLTBA-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.58
Rot. Bonds

About 2,6,7,8-tetrahydroquinazoline

2,6,7,8-tetrahydroquinazoline (PubChem CID 91514026) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2,6,7,8-tetrahydroquinazoline
PubChem CID91514026
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2,6,7,8-tetrahydroquinazoline
SMILESC1=NCN=C2CCCC=C12
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h3,5H,1-2,4,6H2
InChIKeyXQCSKDNJRSLTBA-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 2,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2,6,7,8-tetrahydroquinazoline (CID 91514026) is 2,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2,6,7,8-tetrahydroquinazoline is C1=NCN=C2CCCC=C12.
What is the InChIKey of 2,6,7,8-tetrahydroquinazoline?
The InChIKey is XQCSKDNJRSLTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-4-8-7(3-1)5-9-6-10-8/h3,5H,1-2,4,6H2.
What are the key properties of 2,6,7,8-tetrahydroquinazoline?
2,6,7,8-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 2,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 91514026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).