2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-pentan-3-ylamino]ethanol

C14H26N4O — CID 54994944

IUPAC2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1nnc(C)c(C)c1CN
InChIInChI=1S/C14H26N4O/c1-5-12(6-2)18(7-8-19)14-13(9-15)10(3)11(4)16-17-14/h12,19H,5-9,15H2,1-4H3
InChIKeyXWQIUANWXHFNQA-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.54
Rot. Bonds7

About 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-pentan-3-ylamino]ethanol

2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-pentan-3-ylamino]ethanol (PubChem CID 54994944) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-pentan-3-ylamino]ethanol
PubChem CID54994944
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1nnc(C)c(C)c1CN
InChIInChI=1S/C14H26N4O/c1-5-12(6-2)18(7-8-19)14-13(9-15)10(3)11(4)16-17-14/h12,19H,5-9,15H2,1-4H3
InChIKeyXWQIUANWXHFNQA-UHFFFAOYSA-N
XLogP1.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-pentan-3-ylamino]ethanol 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-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-pentan-3-ylamino]ethanol (CID 54994944) is 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)c1nnc(C)c(C)c1CN.
What is the InChIKey of 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-pentan-3-ylamino]ethanol?
The InChIKey is XWQIUANWXHFNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-12(6-2)18(7-8-19)14-13(9-15)10(3)11(4)16-17-14/h12,19H,5-9,15H2,1-4H3.
What are the key properties of 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-pentan-3-ylamino]ethanol?
2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-pentan-3-ylamino]ethanol has a molecular weight of 266.39 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-pentan-3-ylamino]ethanol is sourced from PubChem (CID 54994944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).