2-[cyclobutyl-[(6-methoxypyridazin-3-yl)methyl]amino]ethanol

C12H19N3O2 — CID 114268820

IUPAC2-[cyclobutyl-[(6-methoxypyridazin-3-yl)methyl]amino]ethanol
SMILESCOc1ccc(CN(CCO)C2CCC2)nn1
InChIInChI=1S/C12H19N3O2/c1-17-12-6-5-10(13-14-12)9-15(7-8-16)11-3-2-4-11/h5-6,11,16H,2-4,7-9H2,1H3
InChIKeyGDQOBQPLETYLKJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.83
Rot. Bonds6

About 2-[cyclobutyl-[(6-methoxypyridazin-3-yl)methyl]amino]ethanol

2-[cyclobutyl-[(6-methoxypyridazin-3-yl)methyl]amino]ethanol (PubChem CID 114268820) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[cyclobutyl-[(6-methoxypyridazin-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[(6-methoxypyridazin-3-yl)methyl]amino]ethanol
PubChem CID114268820
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[cyclobutyl-[(6-methoxypyridazin-3-yl)methyl]amino]ethanol
SMILESCOc1ccc(CN(CCO)C2CCC2)nn1
InChIInChI=1S/C12H19N3O2/c1-17-12-6-5-10(13-14-12)9-15(7-8-16)11-3-2-4-11/h5-6,11,16H,2-4,7-9H2,1H3
InChIKeyGDQOBQPLETYLKJ-UHFFFAOYSA-N
XLogP0.83
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclobutyl-[(6-methoxy-2-pyridinyl)methyl]amino]ethanol
CID 102676529
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2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol
CID 102860731
2-[cyclopentyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol
CID 64773013
2-[(2-bromo-5-methoxyphenyl)methyl-cyclopentylamino]ethanol
CID 65326761
2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol
CID 60694517
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CID 62016639

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[(6-methoxypyridazin-3-yl)methyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[(6-methoxypyridazin-3-yl)methyl]amino]ethanol (CID 114268820) is 2-[cyclobutyl-[(6-methoxypyridazin-3-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[(6-methoxypyridazin-3-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[(6-methoxypyridazin-3-yl)methyl]amino]ethanol is COc1ccc(CN(CCO)C2CCC2)nn1.
What is the InChIKey of 2-[cyclobutyl-[(6-methoxypyridazin-3-yl)methyl]amino]ethanol?
The InChIKey is GDQOBQPLETYLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-17-12-6-5-10(13-14-12)9-15(7-8-16)11-3-2-4-11/h5-6,11,16H,2-4,7-9H2,1H3.
What are the key properties of 2-[cyclobutyl-[(6-methoxypyridazin-3-yl)methyl]amino]ethanol?
2-[cyclobutyl-[(6-methoxypyridazin-3-yl)methyl]amino]ethanol has a molecular weight of 237.30 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[(6-methoxypyridazin-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 114268820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).