N-[(4-chlorophenyl)methyl]-N,5,6-trimethylpyridazin-3-amine

C14H16ClN3 — CID 133488301

IUPACN-[(4-chlorophenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
SMILESCc1cc(N(C)Cc2ccc(Cl)cc2)nnc1C
InChIInChI=1S/C14H16ClN3/c1-10-8-14(17-16-11(10)2)18(3)9-12-4-6-13(15)7-5-12/h4-8H,9H2,1-3H3
InChIKeyTWUIADYKLNJOBS-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.38
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-N,5,6-trimethylpyridazin-3-amine

N-[(4-chlorophenyl)methyl]-N,5,6-trimethylpyridazin-3-amine (PubChem CID 133488301) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N,5,6-trimethylpyridazin-3-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
PubChem CID133488301
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-[(4-chlorophenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
SMILESCc1cc(N(C)Cc2ccc(Cl)cc2)nnc1C
InChIInChI=1S/C14H16ClN3/c1-10-8-14(17-16-11(10)2)18(3)9-12-4-6-13(15)7-5-12/h4-8H,9H2,1-3H3
InChIKeyTWUIADYKLNJOBS-UHFFFAOYSA-N
XLogP3.38
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylpyridazin-3-amine
CID 55054791
4-N-[(4-chlorophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 113221848
N,5,6-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridazin-3-amine
CID 133489512
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80896376
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767766
2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 62475698
N-[(4-bromophenyl)methyl]-5-chloro-N-methylpyridin-2-amine
CID 66231617
4-N-[(4-chlorophenyl)methyl]-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961121
4-N-[(4-chlorophenyl)methyl]-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80794822
4,6-dichloro-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,5-triazin-2-amine
CID 62868382
4-[(4-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 81060299
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 171324276

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N,5,6-trimethylpyridazin-3-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N,5,6-trimethylpyridazin-3-amine (CID 133488301) is N-[(4-chlorophenyl)methyl]-N,5,6-trimethylpyridazin-3-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N,5,6-trimethylpyridazin-3-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N,5,6-trimethylpyridazin-3-amine is Cc1cc(N(C)Cc2ccc(Cl)cc2)nnc1C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N,5,6-trimethylpyridazin-3-amine?
The InChIKey is TWUIADYKLNJOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10-8-14(17-16-11(10)2)18(3)9-12-4-6-13(15)7-5-12/h4-8H,9H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N,5,6-trimethylpyridazin-3-amine?
N-[(4-chlorophenyl)methyl]-N,5,6-trimethylpyridazin-3-amine has a molecular weight of 261.76 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N,5,6-trimethylpyridazin-3-amine is sourced from PubChem (CID 133488301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).