2-ethyl-2-[[(6-methylpyridazin-3-yl)amino]methyl]butan-1-ol

C12H21N3O — CID 106254988

IUPAC2-ethyl-2-[[(6-methylpyridazin-3-yl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1ccc(C)nn1
InChIInChI=1S/C12H21N3O/c1-4-12(5-2,9-16)8-13-11-7-6-10(3)14-15-11/h6-7,16H,4-5,8-9H2,1-3H3,(H,13,15)
InChIKeyYFUDFPAKIKBAMN-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.00
Rot. Bonds6

About 2-ethyl-2-[[(6-methylpyridazin-3-yl)amino]methyl]butan-1-ol

2-ethyl-2-[[(6-methylpyridazin-3-yl)amino]methyl]butan-1-ol (PubChem CID 106254988) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-ethyl-2-[[(6-methylpyridazin-3-yl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(6-methylpyridazin-3-yl)amino]methyl]butan-1-ol
PubChem CID106254988
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-ethyl-2-[[(6-methylpyridazin-3-yl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1ccc(C)nn1
InChIInChI=1S/C12H21N3O/c1-4-12(5-2,9-16)8-13-11-7-6-10(3)14-15-11/h6-7,16H,4-5,8-9H2,1-3H3,(H,13,15)
InChIKeyYFUDFPAKIKBAMN-UHFFFAOYSA-N
XLogP2.00
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-[[(6-methylpyridazin-3-yl)amino]methyl]butan-1-ol 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-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol
CID 103880439
2-[[(5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 103844439
2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 103844350
2-ethyl-2-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]butan-1-ol
CID 113334685
6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridazin-3-amine
CID 106294297
2-[(3,5-dimethylanilino)methyl]-2-ethylbutan-1-ol
CID 81411803
2-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 114164166
6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-3-nitropyridine-2-carbonitrile
CID 103578070
6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 103844430
1-[(6-methylpyridazin-3-yl)amino]propan-2-one
CID 116972083
2-ethyl-2-[(pyrimidin-2-ylamino)methyl]butan-1-ol
CID 75431914
2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-3-carboxamide
CID 113334693

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(6-methylpyridazin-3-yl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(6-methylpyridazin-3-yl)amino]methyl]butan-1-ol (CID 106254988) is 2-ethyl-2-[[(6-methylpyridazin-3-yl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(6-methylpyridazin-3-yl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(6-methylpyridazin-3-yl)amino]methyl]butan-1-ol is CCC(CC)(CO)CNc1ccc(C)nn1.
What is the InChIKey of 2-ethyl-2-[[(6-methylpyridazin-3-yl)amino]methyl]butan-1-ol?
The InChIKey is YFUDFPAKIKBAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-12(5-2,9-16)8-13-11-7-6-10(3)14-15-11/h6-7,16H,4-5,8-9H2,1-3H3,(H,13,15).
What are the key properties of 2-ethyl-2-[[(6-methylpyridazin-3-yl)amino]methyl]butan-1-ol?
2-ethyl-2-[[(6-methylpyridazin-3-yl)amino]methyl]butan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(6-methylpyridazin-3-yl)amino]methyl]butan-1-ol is sourced from PubChem (CID 106254988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).