N-(2-chloroethyl)-5-methyl-N-pentan-3-ylpyridazin-3-amine

C12H20ClN3 — CID 106550626

IUPACN-(2-chloroethyl)-5-methyl-N-pentan-3-ylpyridazin-3-amine
SMILESCCC(CC)N(CCCl)c1cc(C)cnn1
InChIInChI=1S/C12H20ClN3/c1-4-11(5-2)16(7-6-13)12-8-10(3)9-14-15-12/h8-9,11H,4-7H2,1-3H3
InChIKeyGHWKGWSFMSKTKE-UHFFFAOYSA-N
MW241.77 g/mol
LogP3.02
Rot. Bonds6

About N-(2-chloroethyl)-5-methyl-N-pentan-3-ylpyridazin-3-amine

N-(2-chloroethyl)-5-methyl-N-pentan-3-ylpyridazin-3-amine (PubChem CID 106550626) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is N-(2-chloroethyl)-5-methyl-N-pentan-3-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-5-methyl-N-pentan-3-ylpyridazin-3-amine
PubChem CID106550626
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC NameN-(2-chloroethyl)-5-methyl-N-pentan-3-ylpyridazin-3-amine
SMILESCCC(CC)N(CCCl)c1cc(C)cnn1
InChIInChI=1S/C12H20ClN3/c1-4-11(5-2)16(7-6-13)12-8-10(3)9-14-15-12/h8-9,11H,4-7H2,1-3H3
InChIKeyGHWKGWSFMSKTKE-UHFFFAOYSA-N
XLogP3.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-chloroethyl)-5-methyl-N-pentan-3-ylpyridazin-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

2-[(5-methylpyridazin-3-yl)-pentan-3-ylamino]ethanol
CID 106550364
N-benzyl-N-(2-chloroethyl)-5-methylpyridazin-3-amine
CID 106550604
3-[(5-methylpyridazin-3-yl)-propan-2-ylamino]propanethioamide
CID 106549301
3-[ethyl-(5-methylpyridazin-3-yl)amino]propanenitrile
CID 106549278
N-(2-bromoethyl)-N-butyl-5-methylpyridazin-3-amine
CID 106550679
3-[methyl-(5-methylpyridazin-3-yl)amino]butanethioamide
CID 106549306
N'-methyl-N-(2-methylpropyl)-N'-(5-methylpyridazin-3-yl)ethane-1,2-diamine
CID 106550541
N-(2-chloroethyl)-4,5-dimethyl-N-pentan-3-yl-1,3-thiazol-2-amine
CID 65169152
3-chloro-5-methylpyridazine;dichloromethane
CID 163342385
N-(2-chloroethyl)-N-pentan-3-yl-2,1-benzothiazol-3-amine
CID 66354069
3-[ethyl-(5-methylpyridazin-3-yl)amino]-2-methylpropanethioamide
CID 106549298
N-(2-chloroethyl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 63390383

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-5-methyl-N-pentan-3-ylpyridazin-3-amine?
The IUPAC name of N-(2-chloroethyl)-5-methyl-N-pentan-3-ylpyridazin-3-amine (CID 106550626) is N-(2-chloroethyl)-5-methyl-N-pentan-3-ylpyridazin-3-amine.
What is the SMILES notation for N-(2-chloroethyl)-5-methyl-N-pentan-3-ylpyridazin-3-amine?
The canonical SMILES for N-(2-chloroethyl)-5-methyl-N-pentan-3-ylpyridazin-3-amine is CCC(CC)N(CCCl)c1cc(C)cnn1.
What is the InChIKey of N-(2-chloroethyl)-5-methyl-N-pentan-3-ylpyridazin-3-amine?
The InChIKey is GHWKGWSFMSKTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-4-11(5-2)16(7-6-13)12-8-10(3)9-14-15-12/h8-9,11H,4-7H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-5-methyl-N-pentan-3-ylpyridazin-3-amine?
N-(2-chloroethyl)-5-methyl-N-pentan-3-ylpyridazin-3-amine has a molecular weight of 241.77 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-5-methyl-N-pentan-3-ylpyridazin-3-amine is sourced from PubChem (CID 106550626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).