1,4,5,6,7,8-hexahydroquinazoline

C8H12N2 — CID 55287753

IUPAC1,4,5,6,7,8-hexahydroquinazoline
SMILESC1=NCC2=C(CCCC2)N1
InChIInChI=1S/C8H12N2/c1-2-4-8-7(3-1)5-9-6-10-8/h6H,1-5H2,(H,9,10)
InChIKeySOBPSKGRMOLIIN-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.45
Rot. Bonds

About 1,4,5,6,7,8-hexahydroquinazoline

1,4,5,6,7,8-hexahydroquinazoline (PubChem CID 55287753) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1,4,5,6,7,8-hexahydroquinazoline.

Molecular Properties

Compound Name1,4,5,6,7,8-hexahydroquinazoline
PubChem CID55287753
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1,4,5,6,7,8-hexahydroquinazoline
SMILESC1=NCC2=C(CCCC2)N1
InChIInChI=1S/C8H12N2/c1-2-4-8-7(3-1)5-9-6-10-8/h6H,1-5H2,(H,9,10)
InChIKeySOBPSKGRMOLIIN-UHFFFAOYSA-N
XLogP1.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,6,7,8-hexahydroquinazoline?
The IUPAC name of 1,4,5,6,7,8-hexahydroquinazoline (CID 55287753) is 1,4,5,6,7,8-hexahydroquinazoline.
What is the SMILES notation for 1,4,5,6,7,8-hexahydroquinazoline?
The canonical SMILES for 1,4,5,6,7,8-hexahydroquinazoline is C1=NCC2=C(CCCC2)N1.
What is the InChIKey of 1,4,5,6,7,8-hexahydroquinazoline?
The InChIKey is SOBPSKGRMOLIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-4-8-7(3-1)5-9-6-10-8/h6H,1-5H2,(H,9,10).
What are the key properties of 1,4,5,6,7,8-hexahydroquinazoline?
1,4,5,6,7,8-hexahydroquinazoline has a molecular weight of 136.20 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6,7,8-hexahydroquinazoline is sourced from PubChem (CID 55287753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).