2,2-dimethyl-3-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]propan-1-ol

C13H22N4O — CID 70943149

IUPAC2,2-dimethyl-3-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]propan-1-ol
SMILESCC(C)(CO)CNc1cc(N2CCCC2)cnn1
InChIInChI=1S/C13H22N4O/c1-13(2,10-18)9-14-12-7-11(8-15-16-12)17-5-3-4-6-17/h7-8,18H,3-6,9-10H2,1-2H3,(H,14,16)
InChIKeyCHWTXGFGUMTSKD-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.51
Rot. Bonds5

About 2,2-dimethyl-3-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]propan-1-ol

2,2-dimethyl-3-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]propan-1-ol (PubChem CID 70943149) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]propan-1-ol
PubChem CID70943149
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2,2-dimethyl-3-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]propan-1-ol
SMILESCC(C)(CO)CNc1cc(N2CCCC2)cnn1
InChIInChI=1S/C13H22N4O/c1-13(2,10-18)9-14-12-7-11(8-15-16-12)17-5-3-4-6-17/h7-8,18H,3-6,9-10H2,1-2H3,(H,14,16)
InChIKeyCHWTXGFGUMTSKD-UHFFFAOYSA-N
XLogP1.51
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-3-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]propan-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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]propan-1-ol (CID 70943149) is 2,2-dimethyl-3-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]propan-1-ol is CC(C)(CO)CNc1cc(N2CCCC2)cnn1.
What is the InChIKey of 2,2-dimethyl-3-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]propan-1-ol?
The InChIKey is CHWTXGFGUMTSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,10-18)9-14-12-7-11(8-15-16-12)17-5-3-4-6-17/h7-8,18H,3-6,9-10H2,1-2H3,(H,14,16).
What are the key properties of 2,2-dimethyl-3-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]propan-1-ol?
2,2-dimethyl-3-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]propan-1-ol has a molecular weight of 250.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]propan-1-ol is sourced from PubChem (CID 70943149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).