3-(6-methylpyridazin-3-yl)-N-propylbutan-2-amine

C12H21N3 — CID 63199903

IUPAC3-(6-methylpyridazin-3-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)c1ccc(C)nn1
InChIInChI=1S/C12H21N3/c1-5-8-13-11(4)10(3)12-7-6-9(2)14-15-12/h6-7,10-11,13H,5,8H2,1-4H3
InChIKeyNHYBYDXBGAMVLX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.28
Rot. Bonds5

About 3-(6-methylpyridazin-3-yl)-N-propylbutan-2-amine

3-(6-methylpyridazin-3-yl)-N-propylbutan-2-amine (PubChem CID 63199903) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(6-methylpyridazin-3-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-(6-methylpyridazin-3-yl)-N-propylbutan-2-amine
PubChem CID63199903
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-(6-methylpyridazin-3-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)c1ccc(C)nn1
InChIInChI=1S/C12H21N3/c1-5-8-13-11(4)10(3)12-7-6-9(2)14-15-12/h6-7,10-11,13H,5,8H2,1-4H3
InChIKeyNHYBYDXBGAMVLX-UHFFFAOYSA-N
XLogP2.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(6-methylpyridazin-3-yl)-N-propylbutan-2-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

3-(3-bromopentan-2-yl)-6-methylpyridazine
CID 63560840
3-(5-methylpyrimidin-2-yl)-N-propylbutan-2-amine
CID 63206017
3-(3-methylpyrazin-2-yl)-N-propylbutan-2-amine
CID 83064469
3-(2,6-dimethylpyrimidin-4-yl)-4-methyl-N-propylpentan-2-amine
CID 55162966
3-(5-bromopyrimidin-2-yl)-N-propylbutan-2-amine
CID 63873435
(2R)-3-methyl-2-(6-methylpyridazin-3-yl)butan-1-amine
CID 96743407
N-propyl-3-thieno[3,2-c]pyridin-4-ylbutan-2-amine
CID 63199377
3-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 66437216
formamide;3-heptan-2-yl-6-methylpyridazine
CID 176985685
3-naphthalen-2-yl-N-propylbutan-2-amine
CID 66437220
6-methyl-N-pentan-2-ylpyridazin-3-amine
CID 61313507
1-(4-methylphenyl)-2-(propylamino)propan-1-ol
CID 82312296

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylpyridazin-3-yl)-N-propylbutan-2-amine?
The IUPAC name of 3-(6-methylpyridazin-3-yl)-N-propylbutan-2-amine (CID 63199903) is 3-(6-methylpyridazin-3-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-(6-methylpyridazin-3-yl)-N-propylbutan-2-amine?
The canonical SMILES for 3-(6-methylpyridazin-3-yl)-N-propylbutan-2-amine is CCCNC(C)C(C)c1ccc(C)nn1.
What is the InChIKey of 3-(6-methylpyridazin-3-yl)-N-propylbutan-2-amine?
The InChIKey is NHYBYDXBGAMVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-8-13-11(4)10(3)12-7-6-9(2)14-15-12/h6-7,10-11,13H,5,8H2,1-4H3.
What are the key properties of 3-(6-methylpyridazin-3-yl)-N-propylbutan-2-amine?
3-(6-methylpyridazin-3-yl)-N-propylbutan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylpyridazin-3-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 63199903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).