[1-[[1-(6-chloropyridazin-3-yl)piperidin-3-yl]methyl]triazol-4-yl]methanol

C13H17ClN6O — CID 45186762

IUPAC[1-[[1-(6-chloropyridazin-3-yl)piperidin-3-yl]methyl]triazol-4-yl]methanol
SMILESOCc1cn(CC2CCCN(c3ccc(Cl)nn3)C2)nn1
InChIInChI=1S/C13H17ClN6O/c14-12-3-4-13(17-16-12)19-5-1-2-10(6-19)7-20-8-11(9-21)15-18-20/h3-4,8,10,21H,1-2,5-7,9H2
InChIKeyBMBWVGBROAUXMW-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.13
Rot. Bonds4

About [1-[[1-(6-chloropyridazin-3-yl)piperidin-3-yl]methyl]triazol-4-yl]methanol

[1-[[1-(6-chloropyridazin-3-yl)piperidin-3-yl]methyl]triazol-4-yl]methanol (PubChem CID 45186762) has the molecular formula C13H17ClN6O and a molecular weight of 308.77 g/mol. Its IUPAC name is [1-[[1-(6-chloropyridazin-3-yl)piperidin-3-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(6-chloropyridazin-3-yl)piperidin-3-yl]methyl]triazol-4-yl]methanol
PubChem CID45186762
Molecular FormulaC13H17ClN6O
Molecular Weight308.77 g/mol
Exact Mass308.12
IUPAC Name[1-[[1-(6-chloropyridazin-3-yl)piperidin-3-yl]methyl]triazol-4-yl]methanol
SMILESOCc1cn(CC2CCCN(c3ccc(Cl)nn3)C2)nn1
InChIInChI=1S/C13H17ClN6O/c14-12-3-4-13(17-16-12)19-5-1-2-10(6-19)7-20-8-11(9-21)15-18-20/h3-4,8,10,21H,1-2,5-7,9H2
InChIKeyBMBWVGBROAUXMW-UHFFFAOYSA-N
XLogP1.13
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol
CID 94407878
(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine
CID 86318137
2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol
CID 114799166
[1-[[(3R)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 28906323
[1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 45209928
[1-[[(3S)-1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 31224091
[(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342103
tert-butyl 3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidine-1-carboxylate
CID 121208608
[1-[[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid
CID 154887702
1-[(3S)-3-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 129495741
3-[1-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methyl]triazol-4-yl]propanoic acid
CID 31125379
[1-[[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 28737834

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(6-chloropyridazin-3-yl)piperidin-3-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[1-(6-chloropyridazin-3-yl)piperidin-3-yl]methyl]triazol-4-yl]methanol (CID 45186762) is [1-[[1-(6-chloropyridazin-3-yl)piperidin-3-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[1-(6-chloropyridazin-3-yl)piperidin-3-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[1-(6-chloropyridazin-3-yl)piperidin-3-yl]methyl]triazol-4-yl]methanol is OCc1cn(CC2CCCN(c3ccc(Cl)nn3)C2)nn1.
What is the InChIKey of [1-[[1-(6-chloropyridazin-3-yl)piperidin-3-yl]methyl]triazol-4-yl]methanol?
The InChIKey is BMBWVGBROAUXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O/c14-12-3-4-13(17-16-12)19-5-1-2-10(6-19)7-20-8-11(9-21)15-18-20/h3-4,8,10,21H,1-2,5-7,9H2.
What are the key properties of [1-[[1-(6-chloropyridazin-3-yl)piperidin-3-yl]methyl]triazol-4-yl]methanol?
[1-[[1-(6-chloropyridazin-3-yl)piperidin-3-yl]methyl]triazol-4-yl]methanol has a molecular weight of 308.77 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(6-chloropyridazin-3-yl)piperidin-3-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 45186762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).