4-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpyridazin-3-one

C11H14ClN5O — CID 104576609

IUPAC4-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpyridazin-3-one
SMILESCc1nn(C)cc1CNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C11H14ClN5O/c1-7-8(6-16(2)15-7)4-13-9-5-14-17(3)11(18)10(9)12/h5-6,13H,4H2,1-3H3
InChIKeyFMAQYBOADQTWGH-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.09
Rot. Bonds3

About 4-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpyridazin-3-one

4-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpyridazin-3-one (PubChem CID 104576609) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpyridazin-3-one
PubChem CID104576609
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name4-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpyridazin-3-one
SMILESCc1nn(C)cc1CNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C11H14ClN5O/c1-7-8(6-16(2)15-7)4-13-9-5-14-17(3)11(18)10(9)12/h5-6,13H,4H2,1-3H3
InChIKeyFMAQYBOADQTWGH-UHFFFAOYSA-N
XLogP1.09
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one
CID 115644108
4-chloro-2-methyl-5-[(2-nitrophenyl)methylamino]pyridazin-3-one
CID 47281920
4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one
CID 47281719
4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 33286975
4-chloro-5-[(2,5-difluorophenyl)methylamino]-2-methylpyridazin-3-one
CID 115613225
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
4-chloro-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
CID 115621009
2-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine
CID 114050786
4-chloro-2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one
CID 113222227
4-chloro-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 106048168
4-chloro-5-[2-(diethylamino)ethylamino]-2-methylpyridazin-3-one
CID 12919579
5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one
CID 114444517

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpyridazin-3-one (CID 104576609) is 4-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpyridazin-3-one is Cc1nn(C)cc1CNc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpyridazin-3-one?
The InChIKey is FMAQYBOADQTWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-7-8(6-16(2)15-7)4-13-9-5-14-17(3)11(18)10(9)12/h5-6,13H,4H2,1-3H3.
What are the key properties of 4-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpyridazin-3-one?
4-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpyridazin-3-one has a molecular weight of 267.72 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 104576609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).