6-[[(2R)-2-(3-chlorophenyl)-2-methylsulfanylethyl]amino]pyridazine-3-carboxamide

C14H15ClN4OS — CID 96520494

IUPAC6-[[(2R)-2-(3-chlorophenyl)-2-methylsulfanylethyl]amino]pyridazine-3-carboxamide
SMILESCS[C@@H](CNc1ccc(C(N)=O)nn1)c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN4OS/c1-21-12(9-3-2-4-10(15)7-9)8-17-13-6-5-11(14(16)20)18-19-13/h2-7,12H,8H2,1H3,(H2,16,20)(H,17,19)/t12-/m0/s1
InChIKeyPHHWZEJAFVPGQI-LBPRGKRZSA-N
MW322.82 g/mol
LogP2.75
Rot. Bonds6

About 6-[[(2R)-2-(3-chlorophenyl)-2-methylsulfanylethyl]amino]pyridazine-3-carboxamide

6-[[(2R)-2-(3-chlorophenyl)-2-methylsulfanylethyl]amino]pyridazine-3-carboxamide (PubChem CID 96520494) has the molecular formula C14H15ClN4OS and a molecular weight of 322.82 g/mol. Its IUPAC name is 6-[[(2R)-2-(3-chlorophenyl)-2-methylsulfanylethyl]amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[(2R)-2-(3-chlorophenyl)-2-methylsulfanylethyl]amino]pyridazine-3-carboxamide
PubChem CID96520494
Molecular FormulaC14H15ClN4OS
Molecular Weight322.82 g/mol
Exact Mass322.07
IUPAC Name6-[[(2R)-2-(3-chlorophenyl)-2-methylsulfanylethyl]amino]pyridazine-3-carboxamide
SMILESCS[C@@H](CNc1ccc(C(N)=O)nn1)c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN4OS/c1-21-12(9-3-2-4-10(15)7-9)8-17-13-6-5-11(14(16)20)18-19-13/h2-7,12H,8H2,1H3,(H2,16,20)(H,17,19)/t12-/m0/s1
InChIKeyPHHWZEJAFVPGQI-LBPRGKRZSA-N
XLogP2.75
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-phenylpropylamino)pyridazine-3-carboxamide
CID 112695970
6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridazine-3-carboxamide
CID 133364201
6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazine-3-carboxamide
CID 102913837
3-[(2S)-2-(3-chlorophenyl)-2-methylsulfanylethyl]-1-[(2S)-2-hydroxypropyl]-1-methylurea
CID 97333116
4-[[2-(3-chlorophenyl)-2-methylsulfanylethyl]amino]-2-(trifluoromethyl)benzenesulfonamide
CID 133339283
3-[6-[2-(4-chlorophenyl)propylamino]pyridazin-3-yl]benzamide
CID 139323754
6-[[2-(2,6-dichlorophenyl)-2-hydroxyethyl]amino]-N-methylpyridazine-3-carboxamide
CID 133340200
6-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109118859
6-[[2-(dimethylamino)-2-phenylethyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133313257
6-[1-(3-bromophenyl)ethylamino]pyridazine-3-carboxamide
CID 79099168
6-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109111066
N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109124842

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-(3-chlorophenyl)-2-methylsulfanylethyl]amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[[(2R)-2-(3-chlorophenyl)-2-methylsulfanylethyl]amino]pyridazine-3-carboxamide (CID 96520494) is 6-[[(2R)-2-(3-chlorophenyl)-2-methylsulfanylethyl]amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[(2R)-2-(3-chlorophenyl)-2-methylsulfanylethyl]amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[(2R)-2-(3-chlorophenyl)-2-methylsulfanylethyl]amino]pyridazine-3-carboxamide is CS[C@@H](CNc1ccc(C(N)=O)nn1)c1cccc(Cl)c1.
What is the InChIKey of 6-[[(2R)-2-(3-chlorophenyl)-2-methylsulfanylethyl]amino]pyridazine-3-carboxamide?
The InChIKey is PHHWZEJAFVPGQI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15ClN4OS/c1-21-12(9-3-2-4-10(15)7-9)8-17-13-6-5-11(14(16)20)18-19-13/h2-7,12H,8H2,1H3,(H2,16,20)(H,17,19)/t12-/m0/s1.
What are the key properties of 6-[[(2R)-2-(3-chlorophenyl)-2-methylsulfanylethyl]amino]pyridazine-3-carboxamide?
6-[[(2R)-2-(3-chlorophenyl)-2-methylsulfanylethyl]amino]pyridazine-3-carboxamide has a molecular weight of 322.82 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-2-(3-chlorophenyl)-2-methylsulfanylethyl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 96520494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).