6-N-(3-chlorophenyl)-4-methylpyridazine-3,6-diamine

C11H11ClN4 — CID 1493816

IUPAC6-N-(3-chlorophenyl)-4-methylpyridazine-3,6-diamine
SMILESCc1cc(Nc2cccc(Cl)c2)nnc1N
InChIInChI=1S/C11H11ClN4/c1-7-5-10(15-16-11(7)13)14-9-4-2-3-8(12)6-9/h2-6H,1H3,(H2,13,16)(H,14,15)
InChIKeyGXPVBSIDHYCWRO-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.76
Rot. Bonds2

About 6-N-(3-chlorophenyl)-4-methylpyridazine-3,6-diamine

6-N-(3-chlorophenyl)-4-methylpyridazine-3,6-diamine (PubChem CID 1493816) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 6-N-(3-chlorophenyl)-4-methylpyridazine-3,6-diamine.

Molecular Properties

Compound Name6-N-(3-chlorophenyl)-4-methylpyridazine-3,6-diamine
PubChem CID1493816
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name6-N-(3-chlorophenyl)-4-methylpyridazine-3,6-diamine
SMILESCc1cc(Nc2cccc(Cl)c2)nnc1N
InChIInChI=1S/C11H11ClN4/c1-7-5-10(15-16-11(7)13)14-9-4-2-3-8(12)6-9/h2-6H,1H3,(H2,13,16)(H,14,15)
InChIKeyGXPVBSIDHYCWRO-UHFFFAOYSA-N
XLogP2.76
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-(3-chloroanilino)pyridazine-4-carboxylic acid
CID 117103127
N-(3-chlorophenyl)-6-hydrazinylpyridazin-3-amine
CID 59363292
3-N-(3-chlorophenyl)-1,2,4-triazine-3,5,6-triamine
CID 1492761
N-[6-(3-chloroanilino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 113047502
5-chloro-N-(3-chlorophenyl)pyridin-2-amine
CID 66217838
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112878014
3-N-(3-chlorophenyl)-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963487
2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968809
4-N-(3-chlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 53214673
N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109128669

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chlorophenyl)-4-methylpyridazine-3,6-diamine?
The IUPAC name of 6-N-(3-chlorophenyl)-4-methylpyridazine-3,6-diamine (CID 1493816) is 6-N-(3-chlorophenyl)-4-methylpyridazine-3,6-diamine.
What is the SMILES notation for 6-N-(3-chlorophenyl)-4-methylpyridazine-3,6-diamine?
The canonical SMILES for 6-N-(3-chlorophenyl)-4-methylpyridazine-3,6-diamine is Cc1cc(Nc2cccc(Cl)c2)nnc1N.
What is the InChIKey of 6-N-(3-chlorophenyl)-4-methylpyridazine-3,6-diamine?
The InChIKey is GXPVBSIDHYCWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-7-5-10(15-16-11(7)13)14-9-4-2-3-8(12)6-9/h2-6H,1H3,(H2,13,16)(H,14,15).
What are the key properties of 6-N-(3-chlorophenyl)-4-methylpyridazine-3,6-diamine?
6-N-(3-chlorophenyl)-4-methylpyridazine-3,6-diamine has a molecular weight of 234.69 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chlorophenyl)-4-methylpyridazine-3,6-diamine is sourced from PubChem (CID 1493816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).