4-chloro-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpyridazin-3-one

C17H16ClN3O2 — CID 9195137

IUPAC4-chloro-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpyridazin-3-one
SMILESCc1ccc(CN(C)c2cnn(-c3ccccc3)c(=O)c2Cl)o1
InChIInChI=1S/C17H16ClN3O2/c1-12-8-9-14(23-12)11-20(2)15-10-19-21(17(22)16(15)18)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyFYSBSZHDAJTSQU-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.42
Rot. Bonds4

About 4-chloro-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpyridazin-3-one

4-chloro-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpyridazin-3-one (PubChem CID 9195137) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 4-chloro-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpyridazin-3-one
PubChem CID9195137
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name4-chloro-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpyridazin-3-one
SMILESCc1ccc(CN(C)c2cnn(-c3ccccc3)c(=O)c2Cl)o1
InChIInChI=1S/C17H16ClN3O2/c1-12-8-9-14(23-12)11-20(2)15-10-19-21(17(22)16(15)18)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyFYSBSZHDAJTSQU-UHFFFAOYSA-N
XLogP3.42
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(2,4-difluorophenyl)-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridazin-3-one
CID 133382272
4-chloro-5-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-phenylpyridazin-3-one
CID 9195293
4-chloro-5-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-phenylpyridazin-3-one
CID 9172446
4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one
CID 133381459
4-chloro-5-(N-ethyl-3-methylanilino)-2-phenylpyridazin-3-one
CID 50876167
3-chloro-N'-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N',2,2-trimethylpropanehydrazide
CID 2774918
4-chloro-5-(diethylamino)-2-(3-methylphenyl)pyridazin-3-one
CID 24997707
N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
CID 52524091
4-chloro-5-[cyclopropylmethyl(methyl)amino]-2-(4-nitrophenyl)pyridazin-3-one
CID 133283693
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102498
4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one
CID 9340704
4-amino-5-(dimethylamino)-2-phenylpyridazin-3-one;hydrochloride
CID 2842592

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpyridazin-3-one (CID 9195137) is 4-chloro-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpyridazin-3-one is Cc1ccc(CN(C)c2cnn(-c3ccccc3)c(=O)c2Cl)o1.
What is the InChIKey of 4-chloro-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpyridazin-3-one?
The InChIKey is FYSBSZHDAJTSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-12-8-9-14(23-12)11-20(2)15-10-19-21(17(22)16(15)18)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3.
What are the key properties of 4-chloro-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpyridazin-3-one?
4-chloro-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpyridazin-3-one has a molecular weight of 329.79 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpyridazin-3-one is sourced from PubChem (CID 9195137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).