7-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one

C9H13N3O — CID 162782731

IUPAC7-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1nc2c(cc1=O)CCC(N)C2
InChIInChI=1S/C9H13N3O/c1-12-9(13)4-6-2-3-7(10)5-8(6)11-12/h4,7H,2-3,5,10H2,1H3
InChIKeyAYQBMJPVIPASSE-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.40
Rot. Bonds

About 7-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one

7-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 162782731) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 7-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name7-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID162782731
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name7-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1nc2c(cc1=O)CCC(N)C2
InChIInChI=1S/C9H13N3O/c1-12-9(13)4-6-2-3-7(10)5-8(6)11-12/h4,7H,2-3,5,10H2,1H3
InChIKeyAYQBMJPVIPASSE-UHFFFAOYSA-N
XLogP-0.40
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 7-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one (CID 162782731) is 7-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 7-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 7-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one is Cn1nc2c(cc1=O)CCC(N)C2.
What is the InChIKey of 7-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is AYQBMJPVIPASSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-12-9(13)4-6-2-3-7(10)5-8(6)11-12/h4,7H,2-3,5,10H2,1H3.
What are the key properties of 7-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one?
7-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 179.22 g/mol, XLogP of -0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 162782731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).