6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine

C14H16ClN3O — CID 63271766

IUPAC6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine
SMILESCOc1cccc(CNc2nnc(Cl)c(C)c2C)c1
InChIInChI=1S/C14H16ClN3O/c1-9-10(2)14(18-17-13(9)15)16-8-11-5-4-6-12(7-11)19-3/h4-7H,8H2,1-3H3,(H,16,18)
InChIKeyKTMSMNWTKOVQPC-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.37
Rot. Bonds4

About 6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine

6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine (PubChem CID 63271766) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine
PubChem CID63271766
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine
SMILESCOc1cccc(CNc2nnc(Cl)c(C)c2C)c1
InChIInChI=1S/C14H16ClN3O/c1-9-10(2)14(18-17-13(9)15)16-8-11-5-4-6-12(7-11)19-3/h4-7H,8H2,1-3H3,(H,16,18)
InChIKeyKTMSMNWTKOVQPC-UHFFFAOYSA-N
XLogP3.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine
CID 63271969
3-[(3-methoxyphenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535514
6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80776127
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268
4-chloro-N-[(3-methoxyphenyl)methyl]aniline
CID 4681221
2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine
CID 81131728
2,4,5-trichloro-N-[(3-methoxyphenyl)methyl]aniline
CID 29266547
6-chloro-N-[(3-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 113431252
2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine
CID 66279303
N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 23255337
2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 61029303
6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80798291

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine (CID 63271766) is 6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine is COc1cccc(CNc2nnc(Cl)c(C)c2C)c1.
What is the InChIKey of 6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine?
The InChIKey is KTMSMNWTKOVQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9-10(2)14(18-17-13(9)15)16-8-11-5-4-6-12(7-11)19-3/h4-7H,8H2,1-3H3,(H,16,18).
What are the key properties of 6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine?
6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine has a molecular weight of 277.75 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine is sourced from PubChem (CID 63271766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).