(3S)-1-(2-chlorophenyl)-3-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]pyrrolidin-2-one

C15H14ClN7O — CID 95620506

IUPAC(3S)-1-(2-chlorophenyl)-3-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]pyrrolidin-2-one
SMILESCN(c1ccc2nnnn2n1)[C@H]1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C15H14ClN7O/c1-21(14-7-6-13-17-19-20-23(13)18-14)12-8-9-22(15(12)24)11-5-3-2-4-10(11)16/h2-7,12H,8-9H2,1H3/t12-/m0/s1
InChIKeyRFWARLQMDVCINA-LBPRGKRZSA-N
MW343.78 g/mol
LogP1.41
Rot. Bonds3

About (3S)-1-(2-chlorophenyl)-3-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]pyrrolidin-2-one

(3S)-1-(2-chlorophenyl)-3-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]pyrrolidin-2-one (PubChem CID 95620506) has the molecular formula C15H14ClN7O and a molecular weight of 343.78 g/mol. Its IUPAC name is (3S)-1-(2-chlorophenyl)-3-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-(2-chlorophenyl)-3-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]pyrrolidin-2-one
PubChem CID95620506
Molecular FormulaC15H14ClN7O
Molecular Weight343.78 g/mol
Exact Mass343.09
IUPAC Name(3S)-1-(2-chlorophenyl)-3-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]pyrrolidin-2-one
SMILESCN(c1ccc2nnnn2n1)[C@H]1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C15H14ClN7O/c1-21(14-7-6-13-17-19-20-23(13)18-14)12-8-9-22(15(12)24)11-5-3-2-4-10(11)16/h2-7,12H,8-9H2,1H3/t12-/m0/s1
InChIKeyRFWARLQMDVCINA-LBPRGKRZSA-N
XLogP1.41
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.78
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]pyrrolidin-2-one
CID 133460651
1-(2-chlorophenyl)-3-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pyrrolidin-2-one
CID 133454723
1-(2-chlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-2-one
CID 111113625
1-(2-chlorophenyl)-3-[4-hydroxybutyl(methyl)amino]pyrrolidin-2-one
CID 111113627
3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414900
(2S)-2-[[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 124694500
1-(2-chlorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
CID 56787467
1-[[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124590941
(3S)-3-amino-1-(2-chlorophenyl)pyrrolidin-2-one
CID 11128620
(3R)-1-(2-chlorophenyl)-3-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrrolidin-2-one
CID 95306666
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-(methylamino)acetamide
CID 119783339
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 136524922

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-chlorophenyl)-3-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]pyrrolidin-2-one?
The IUPAC name of (3S)-1-(2-chlorophenyl)-3-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]pyrrolidin-2-one (CID 95620506) is (3S)-1-(2-chlorophenyl)-3-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-(2-chlorophenyl)-3-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]pyrrolidin-2-one?
The canonical SMILES for (3S)-1-(2-chlorophenyl)-3-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]pyrrolidin-2-one is CN(c1ccc2nnnn2n1)[C@H]1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of (3S)-1-(2-chlorophenyl)-3-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]pyrrolidin-2-one?
The InChIKey is RFWARLQMDVCINA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H14ClN7O/c1-21(14-7-6-13-17-19-20-23(13)18-14)12-8-9-22(15(12)24)11-5-3-2-4-10(11)16/h2-7,12H,8-9H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-1-(2-chlorophenyl)-3-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]pyrrolidin-2-one?
(3S)-1-(2-chlorophenyl)-3-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]pyrrolidin-2-one has a molecular weight of 343.78 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-chlorophenyl)-3-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 95620506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).