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

C8H11N3O — CID 162782740

IUPAC7-amino-5,6,7,8-tetrahydro-2H-cinnolin-3-one
SMILESNC1CCc2cc(=O)[nH]nc2C1
InChIInChI=1S/C8H11N3O/c9-6-2-1-5-3-8(12)11-10-7(5)4-6/h3,6H,1-2,4,9H2,(H,11,12)
InChIKeyPRCIXAYRUVTTQH-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.41
Rot. Bonds

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

7-amino-5,6,7,8-tetrahydro-2H-cinnolin-3-one (PubChem CID 162782740) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 7-amino-5,6,7,8-tetrahydro-2H-cinnolin-3-one.

Molecular Properties

Compound Name7-amino-5,6,7,8-tetrahydro-2H-cinnolin-3-one
PubChem CID162782740
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name7-amino-5,6,7,8-tetrahydro-2H-cinnolin-3-one
SMILESNC1CCc2cc(=O)[nH]nc2C1
InChIInChI=1S/C8H11N3O/c9-6-2-1-5-3-8(12)11-10-7(5)4-6/h3,6H,1-2,4,9H2,(H,11,12)
InChIKeyPRCIXAYRUVTTQH-UHFFFAOYSA-N
XLogP-0.41
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 ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5,6,7,8-tetrahydro-2H-cinnolin-3-one?
The IUPAC name of 7-amino-5,6,7,8-tetrahydro-2H-cinnolin-3-one (CID 162782740) is 7-amino-5,6,7,8-tetrahydro-2H-cinnolin-3-one.
What is the SMILES notation for 7-amino-5,6,7,8-tetrahydro-2H-cinnolin-3-one?
The canonical SMILES for 7-amino-5,6,7,8-tetrahydro-2H-cinnolin-3-one is NC1CCc2cc(=O)[nH]nc2C1.
What is the InChIKey of 7-amino-5,6,7,8-tetrahydro-2H-cinnolin-3-one?
The InChIKey is PRCIXAYRUVTTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-6-2-1-5-3-8(12)11-10-7(5)4-6/h3,6H,1-2,4,9H2,(H,11,12).
What are the key properties of 7-amino-5,6,7,8-tetrahydro-2H-cinnolin-3-one?
7-amino-5,6,7,8-tetrahydro-2H-cinnolin-3-one has a molecular weight of 165.20 g/mol, XLogP of -0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5,6,7,8-tetrahydro-2H-cinnolin-3-one is sourced from PubChem (CID 162782740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).