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

C9H13N3O — CID 129494086

IUPAC(6S)-6-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1nc2c(cc1=O)C[C@@H](N)CC2
InChIInChI=1S/C9H13N3O/c1-12-9(13)5-6-4-7(10)2-3-8(6)11-12/h5,7H,2-4,10H2,1H3/t7-/m0/s1
InChIKeyWMTSLSOFCBLLQO-ZETCQYMHSA-N
MW179.22 g/mol
LogP-0.40
Rot. Bonds

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

(6S)-6-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 129494086) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (6S)-6-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name(6S)-6-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID129494086
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(6S)-6-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1nc2c(cc1=O)C[C@@H](N)CC2
InChIInChI=1S/C9H13N3O/c1-12-9(13)5-6-4-7(10)2-3-8(6)11-12/h5,7H,2-4,10H2,1H3/t7-/m0/s1
InChIKeyWMTSLSOFCBLLQO-ZETCQYMHSA-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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Related Compounds

2-methyl-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]azepin-3(5H)-one
CID 45484734
2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one
CID 63253327
2-methyl-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-one hydrochloride
CID 71755383
2-ethyl-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-one hydrochloride
CID 71755459
6-Amino-2,3,5,6,7,8-hexahydrocinnolin-3-one dihydrochloride
CID 138991464
2-(3-Oxo-2,3,5,6,7,8-hexahydrocinnolin-2-YL)-N-(propan-2-YL)acetamide
CID 75465688
6-amino-5,6,7,8-tetrahydrocinnolin-3(2H)-one
CID 121199715
2-Methyl-5,8-dihydropyrido[4,3-c]pyridazin-3-one
CID 155921266
2-ethyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one
CID 63253865
3,3,3-trifluoro-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)propanamide
CID 92128164
6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3(2H)-one
CID 121199723
(6R)-6-amino-2-(2-fluoroethyl)-5,6,7,8-tetrahydrocinnolin-3-one
CID 129493261

Frequently Asked Questions

What is the IUPAC name of (6S)-6-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of (6S)-6-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one (CID 129494086) is (6S)-6-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for (6S)-6-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for (6S)-6-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one is Cn1nc2c(cc1=O)C[C@@H](N)CC2.
What is the InChIKey of (6S)-6-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is WMTSLSOFCBLLQO-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13N3O/c1-12-9(13)5-6-4-7(10)2-3-8(6)11-12/h5,7H,2-4,10H2,1H3/t7-/m0/s1.
What are the key properties of (6S)-6-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one?
(6S)-6-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 (6S)-6-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 129494086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).