2-[(5-methylpyridazin-3-yl)-pentan-3-ylamino]ethanol

C12H21N3O — CID 106550364

IUPAC2-[(5-methylpyridazin-3-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1cc(C)cnn1
InChIInChI=1S/C12H21N3O/c1-4-11(5-2)15(6-7-16)12-8-10(3)9-13-14-12/h8-9,11,16H,4-7H2,1-3H3
InChIKeyFZVIOPLYWYPEHU-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.77
Rot. Bonds6

About 2-[(5-methylpyridazin-3-yl)-pentan-3-ylamino]ethanol

2-[(5-methylpyridazin-3-yl)-pentan-3-ylamino]ethanol (PubChem CID 106550364) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(5-methylpyridazin-3-yl)-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(5-methylpyridazin-3-yl)-pentan-3-ylamino]ethanol
PubChem CID106550364
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[(5-methylpyridazin-3-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1cc(C)cnn1
InChIInChI=1S/C12H21N3O/c1-4-11(5-2)15(6-7-16)12-8-10(3)9-13-14-12/h8-9,11,16H,4-7H2,1-3H3
InChIKeyFZVIOPLYWYPEHU-UHFFFAOYSA-N
XLogP1.77
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-5-methyl-N-pentan-3-ylpyridazin-3-amine
CID 106550626
2-[(2,6-dimethylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 54999005
3-[(5-methylpyridazin-3-yl)-propan-2-ylamino]propanethioamide
CID 106549301
2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80810928
4-[2-hydroxyethyl(pentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136979604
6-[2-hydroxyethyl(pentan-3-yl)amino]pyridine-3-carbothioamide
CID 54998874
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-pentan-3-ylamino]ethanol
CID 102715711
2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 106973440
2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80809962
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80961040
2-[[6-(ethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80810507
2-[(5-bromopyrimidin-2-yl)-pentan-3-ylamino]ethanol
CID 55251383

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyridazin-3-yl)-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(5-methylpyridazin-3-yl)-pentan-3-ylamino]ethanol (CID 106550364) is 2-[(5-methylpyridazin-3-yl)-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(5-methylpyridazin-3-yl)-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(5-methylpyridazin-3-yl)-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)c1cc(C)cnn1.
What is the InChIKey of 2-[(5-methylpyridazin-3-yl)-pentan-3-ylamino]ethanol?
The InChIKey is FZVIOPLYWYPEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-11(5-2)15(6-7-16)12-8-10(3)9-13-14-12/h8-9,11,16H,4-7H2,1-3H3.
What are the key properties of 2-[(5-methylpyridazin-3-yl)-pentan-3-ylamino]ethanol?
2-[(5-methylpyridazin-3-yl)-pentan-3-ylamino]ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpyridazin-3-yl)-pentan-3-ylamino]ethanol is sourced from PubChem (CID 106550364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).