4,5-dichloro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridazin-3-one

C11H13Cl2N5O — CID 31978740

IUPAC4,5-dichloro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridazin-3-one
SMILESCN(Cc1cnn(C)c1)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H13Cl2N5O/c1-16(5-8-3-14-17(2)6-8)7-18-11(19)10(13)9(12)4-15-18/h3-4,6H,5,7H2,1-2H3
InChIKeyFHHYIQCSNLAMLG-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.37
Rot. Bonds4

About 4,5-dichloro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridazin-3-one

4,5-dichloro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridazin-3-one (PubChem CID 31978740) has the molecular formula C11H13Cl2N5O and a molecular weight of 302.17 g/mol. Its IUPAC name is 4,5-dichloro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridazin-3-one
PubChem CID31978740
Molecular FormulaC11H13Cl2N5O
Molecular Weight302.17 g/mol
Exact Mass301.05
IUPAC Name4,5-dichloro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridazin-3-one
SMILESCN(Cc1cnn(C)c1)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H13Cl2N5O/c1-16(5-8-3-14-17(2)6-8)7-18-11(19)10(13)9(12)4-15-18/h3-4,6H,5,7H2,1-2H3
InChIKeyFHHYIQCSNLAMLG-UHFFFAOYSA-N
XLogP1.37
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[benzhydryl(methyl)amino]methyl]-4,5-dichloropyridazin-3-one
CID 18149973
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 22196071
1-(2-chloro-1,3-thiazol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 79765350
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one
CID 66864935
9-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]nonan-1-amine
CID 105343668
2-(bromomethyl)-4,5-dichloropyridazin-3-one
CID 4612286
N-(2,3-dichlorophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196117
1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62643334
1-(2-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
CID 62631197
5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 107184567
5-chloro-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one
CID 136971007

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridazin-3-one (CID 31978740) is 4,5-dichloro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridazin-3-one is CN(Cc1cnn(C)c1)Cn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridazin-3-one?
The InChIKey is FHHYIQCSNLAMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N5O/c1-16(5-8-3-14-17(2)6-8)7-18-11(19)10(13)9(12)4-15-18/h3-4,6H,5,7H2,1-2H3.
What are the key properties of 4,5-dichloro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridazin-3-one?
4,5-dichloro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridazin-3-one has a molecular weight of 302.17 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridazin-3-one is sourced from PubChem (CID 31978740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).