4-chloro-5-[4-[(dimethylamino)methyl]anilino]-2-methylpyridazin-3-one

C14H17ClN4O — CID 164621108

IUPAC4-chloro-5-[4-[(dimethylamino)methyl]anilino]-2-methylpyridazin-3-one
SMILESCN(C)Cc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1
InChIInChI=1S/C14H17ClN4O/c1-18(2)9-10-4-6-11(7-5-10)17-12-8-16-19(3)14(20)13(12)15/h4-8,17H,9H2,1-3H3
InChIKeyNERLHNQOXJXDPS-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.24
Rot. Bonds4

About 4-chloro-5-[4-[(dimethylamino)methyl]anilino]-2-methylpyridazin-3-one

4-chloro-5-[4-[(dimethylamino)methyl]anilino]-2-methylpyridazin-3-one (PubChem CID 164621108) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-5-[4-[(dimethylamino)methyl]anilino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-[(dimethylamino)methyl]anilino]-2-methylpyridazin-3-one
PubChem CID164621108
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-chloro-5-[4-[(dimethylamino)methyl]anilino]-2-methylpyridazin-3-one
SMILESCN(C)Cc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1
InChIInChI=1S/C14H17ClN4O/c1-18(2)9-10-4-6-11(7-5-10)17-12-8-16-19(3)14(20)13(12)15/h4-8,17H,9H2,1-3H3
InChIKeyNERLHNQOXJXDPS-UHFFFAOYSA-N
XLogP2.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-[(dimethylamino)methyl]anilino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-[(dimethylamino)methyl]anilino]-2-methylpyridazin-3-one (CID 164621108) is 4-chloro-5-[4-[(dimethylamino)methyl]anilino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-[(dimethylamino)methyl]anilino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-[(dimethylamino)methyl]anilino]-2-methylpyridazin-3-one is CN(C)Cc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1.
What is the InChIKey of 4-chloro-5-[4-[(dimethylamino)methyl]anilino]-2-methylpyridazin-3-one?
The InChIKey is NERLHNQOXJXDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-18(2)9-10-4-6-11(7-5-10)17-12-8-16-19(3)14(20)13(12)15/h4-8,17H,9H2,1-3H3.
What are the key properties of 4-chloro-5-[4-[(dimethylamino)methyl]anilino]-2-methylpyridazin-3-one?
4-chloro-5-[4-[(dimethylamino)methyl]anilino]-2-methylpyridazin-3-one has a molecular weight of 292.77 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-[(dimethylamino)methyl]anilino]-2-methylpyridazin-3-one is sourced from PubChem (CID 164621108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).