1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanol

C11H12N6O — CID 76618478

IUPAC1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanol
SMILESCC(O)c1nnc2ccc(-c3cnn(C)c3)nn12
InChIInChI=1S/C11H12N6O/c1-7(18)11-14-13-10-4-3-9(15-17(10)11)8-5-12-16(2)6-8/h3-7,18H,1-2H3
InChIKeySPMQQCJWEHHCRV-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.58
Rot. Bonds2

About 1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanol

1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanol (PubChem CID 76618478) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanol.

Molecular Properties

Compound Name1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanol
PubChem CID76618478
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanol
SMILESCC(O)c1nnc2ccc(-c3cnn(C)c3)nn12
InChIInChI=1S/C11H12N6O/c1-7(18)11-14-13-10-4-3-9(15-17(10)11)8-5-12-16(2)6-8/h3-7,18H,1-2H3
InChIKeySPMQQCJWEHHCRV-UHFFFAOYSA-N
XLogP0.58
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methanesulfonic acid;3-(2-methylindazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 56650917
2-[3-[difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenyl]pyrimidin-5-ol
CID 44553017
6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-2-carboxylic acid
CID 138663784
(1S)-2-methyl-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
CID 99982506
CID 145093146
CID 145093146
(1R)-1-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine
CID 99982532
(1R)-1-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 94781728
(NE)-N-[1-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylidene]hydroxylamine
CID 140622894
1-[6-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 102567904
1-[3-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanone
CID 88920277
1-[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 82167159
7-chloro-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 171509239

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanol?
The IUPAC name of 1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanol (CID 76618478) is 1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanol.
What is the SMILES notation for 1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanol?
The canonical SMILES for 1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanol is CC(O)c1nnc2ccc(-c3cnn(C)c3)nn12.
What is the InChIKey of 1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanol?
The InChIKey is SPMQQCJWEHHCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c1-7(18)11-14-13-10-4-3-9(15-17(10)11)8-5-12-16(2)6-8/h3-7,18H,1-2H3.
What are the key properties of 1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanol?
1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanol has a molecular weight of 244.26 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanol is sourced from PubChem (CID 76618478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).