2-amino-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C8H11N3O — CID 135504743

IUPAC2-amino-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C8H11N3O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H2,(H3,9,10,11,12)
InChIKeyMUGVXCHGASIZAN-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.23
Rot. Bonds

About 2-amino-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-amino-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135504743) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-amino-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-amino-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135504743
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-amino-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C8H11N3O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H2,(H3,9,10,11,12)
InChIKeyMUGVXCHGASIZAN-UHFFFAOYSA-N
XLogP0.23
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-amino-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135504743) is 2-amino-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-amino-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-amino-5,6,7,8-tetrahydro-3H-quinazolin-4-one is Nc1nc2c(c(=O)[nH]1)CCCC2.
What is the InChIKey of 2-amino-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is MUGVXCHGASIZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H2,(H3,9,10,11,12).
What are the key properties of 2-amino-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-amino-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 165.20 g/mol, XLogP of 0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135504743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).