5-methyl-N-[2-(2-methylphenyl)ethyl]pyridazin-3-amine

C14H17N3 — CID 106549855

IUPAC5-methyl-N-[2-(2-methylphenyl)ethyl]pyridazin-3-amine
SMILESCc1cnnc(NCCc2ccccc2C)c1
InChIInChI=1S/C14H17N3/c1-11-9-14(17-16-10-11)15-8-7-13-6-4-3-5-12(13)2/h3-6,9-10H,7-8H2,1-2H3,(H,15,17)
InChIKeyKPAFKHQRKOYHQO-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.75
Rot. Bonds4

About 5-methyl-N-[2-(2-methylphenyl)ethyl]pyridazin-3-amine

5-methyl-N-[2-(2-methylphenyl)ethyl]pyridazin-3-amine (PubChem CID 106549855) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-methyl-N-[2-(2-methylphenyl)ethyl]pyridazin-3-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(2-methylphenyl)ethyl]pyridazin-3-amine
PubChem CID106549855
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name5-methyl-N-[2-(2-methylphenyl)ethyl]pyridazin-3-amine
SMILESCc1cnnc(NCCc2ccccc2C)c1
InChIInChI=1S/C14H17N3/c1-11-9-14(17-16-10-11)15-8-7-13-6-4-3-5-12(13)2/h3-6,9-10H,7-8H2,1-2H3,(H,15,17)
InChIKeyKPAFKHQRKOYHQO-UHFFFAOYSA-N
XLogP2.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylphenyl)ethyl]pyridazin-3-amine
CID 79034324
5-methyl-N-(2-pyridin-2-ylethyl)pyridazin-3-amine
CID 106549424
N-[(2-bromophenyl)methyl]-5-methylpyridazin-3-amine
CID 106549621
6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine
CID 47151369
4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80849672
N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyridazin-3-amine
CID 106549558
2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline
CID 54796543
N-but-3-ynyl-5-methylpyridazin-3-amine
CID 106549778
5-N-[2-(2-fluorophenyl)ethyl]-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112953428
N'-(5-methylpyridazin-3-yl)pentane-1,5-diamine
CID 107323443
N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine
CID 107845062
5-methyl-N-pent-3-ynylpyridazin-3-amine
CID 106550017

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2-methylphenyl)ethyl]pyridazin-3-amine?
The IUPAC name of 5-methyl-N-[2-(2-methylphenyl)ethyl]pyridazin-3-amine (CID 106549855) is 5-methyl-N-[2-(2-methylphenyl)ethyl]pyridazin-3-amine.
What is the SMILES notation for 5-methyl-N-[2-(2-methylphenyl)ethyl]pyridazin-3-amine?
The canonical SMILES for 5-methyl-N-[2-(2-methylphenyl)ethyl]pyridazin-3-amine is Cc1cnnc(NCCc2ccccc2C)c1.
What is the InChIKey of 5-methyl-N-[2-(2-methylphenyl)ethyl]pyridazin-3-amine?
The InChIKey is KPAFKHQRKOYHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-9-14(17-16-10-11)15-8-7-13-6-4-3-5-12(13)2/h3-6,9-10H,7-8H2,1-2H3,(H,15,17).
What are the key properties of 5-methyl-N-[2-(2-methylphenyl)ethyl]pyridazin-3-amine?
5-methyl-N-[2-(2-methylphenyl)ethyl]pyridazin-3-amine has a molecular weight of 227.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2-methylphenyl)ethyl]pyridazin-3-amine is sourced from PubChem (CID 106549855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).