3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-6-methyl-1-phenylpyridazin-4-one;hydrochloride

C18H21ClN4O2 — CID 120655604

IUPAC3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-6-methyl-1-phenylpyridazin-4-one;hydrochloride
SMILESCc1cc(=O)c(C(=O)N2C[C@H]3CNC[C@H]3C2)nn1-c1ccccc1.Cl
InChIInChI=1S/C18H20N4O2.ClH/c1-12-7-16(23)17(20-22(12)15-5-3-2-4-6-15)18(24)21-10-13-8-19-9-14(13)11-21;/h2-7,13-14,19H,8-11H2,1H3;1H/t13-,14+;
InChIKeyTVRABHUDBNHVEN-KAECKJJSSA-N
MW360.85 g/mol
LogP1.25
Rot. Bonds2

About 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-6-methyl-1-phenylpyridazin-4-one;hydrochloride

3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-6-methyl-1-phenylpyridazin-4-one;hydrochloride (PubChem CID 120655604) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-6-methyl-1-phenylpyridazin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-6-methyl-1-phenylpyridazin-4-one;hydrochloride
PubChem CID120655604
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-6-methyl-1-phenylpyridazin-4-one;hydrochloride
SMILESCc1cc(=O)c(C(=O)N2C[C@H]3CNC[C@H]3C2)nn1-c1ccccc1.Cl
InChIInChI=1S/C18H20N4O2.ClH/c1-12-7-16(23)17(20-22(12)15-5-3-2-4-6-15)18(24)21-10-13-8-19-9-14(13)11-21;/h2-7,13-14,19H,8-11H2,1H3;1H/t13-,14+;
InChIKeyTVRABHUDBNHVEN-KAECKJJSSA-N
XLogP1.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-6-methyl-1-phenylpyridazin-4-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 97067476
3-(azepane-1-carbonyl)-6-methyl-1-phenylpyridazin-4-one
CID 8869762
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 120657503
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 8967321
6-methyl-1-phenyl-3-[(2S)-2-phenylmorpholine-4-carbonyl]pyridazin-4-one
CID 35266981
3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 8548127
6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one
CID 27049012
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 35611514
N-(cyclopentylmethyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 43067725
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenyltriazol-4-yl)methanone;hydrochloride
CID 120660181
N-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 51237420
N-(3-aminopropyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide;hydrochloride
CID 119406647

Frequently Asked Questions

What is the IUPAC name of 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-6-methyl-1-phenylpyridazin-4-one;hydrochloride?
The IUPAC name of 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-6-methyl-1-phenylpyridazin-4-one;hydrochloride (CID 120655604) is 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-6-methyl-1-phenylpyridazin-4-one;hydrochloride.
What is the SMILES notation for 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-6-methyl-1-phenylpyridazin-4-one;hydrochloride?
The canonical SMILES for 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-6-methyl-1-phenylpyridazin-4-one;hydrochloride is Cc1cc(=O)c(C(=O)N2C[C@H]3CNC[C@H]3C2)nn1-c1ccccc1.Cl.
What is the InChIKey of 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-6-methyl-1-phenylpyridazin-4-one;hydrochloride?
The InChIKey is TVRABHUDBNHVEN-KAECKJJSSA-N. The full InChI is InChI=1S/C18H20N4O2.ClH/c1-12-7-16(23)17(20-22(12)15-5-3-2-4-6-15)18(24)21-10-13-8-19-9-14(13)11-21;/h2-7,13-14,19H,8-11H2,1H3;1H/t13-,14+;.
What are the key properties of 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-6-methyl-1-phenylpyridazin-4-one;hydrochloride?
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-6-methyl-1-phenylpyridazin-4-one;hydrochloride has a molecular weight of 360.85 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-6-methyl-1-phenylpyridazin-4-one;hydrochloride is sourced from PubChem (CID 120655604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).