1-[6-(2-methylpropoxy)pyrazin-2-yl]-3-(triazol-1-ylmethyl)piperidin-3-ol

C16H24N6O2 — CID 154745336

IUPAC1-[6-(2-methylpropoxy)pyrazin-2-yl]-3-(triazol-1-ylmethyl)piperidin-3-ol
SMILESCC(C)COc1cncc(N2CCCC(O)(Cn3ccnn3)C2)n1
InChIInChI=1S/C16H24N6O2/c1-13(2)10-24-15-9-17-8-14(19-15)21-6-3-4-16(23,11-21)12-22-7-5-18-20-22/h5,7-9,13,23H,3-4,6,10-12H2,1-2H3
InChIKeyPUCVWKUYSOHGJB-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.13
Rot. Bonds6

About 1-[6-(2-methylpropoxy)pyrazin-2-yl]-3-(triazol-1-ylmethyl)piperidin-3-ol

1-[6-(2-methylpropoxy)pyrazin-2-yl]-3-(triazol-1-ylmethyl)piperidin-3-ol (PubChem CID 154745336) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-[6-(2-methylpropoxy)pyrazin-2-yl]-3-(triazol-1-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-[6-(2-methylpropoxy)pyrazin-2-yl]-3-(triazol-1-ylmethyl)piperidin-3-ol
PubChem CID154745336
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name1-[6-(2-methylpropoxy)pyrazin-2-yl]-3-(triazol-1-ylmethyl)piperidin-3-ol
SMILESCC(C)COc1cncc(N2CCCC(O)(Cn3ccnn3)C2)n1
InChIInChI=1S/C16H24N6O2/c1-13(2)10-24-15-9-17-8-14(19-15)21-6-3-4-16(23,11-21)12-22-7-5-18-20-22/h5,7-9,13,23H,3-4,6,10-12H2,1-2H3
InChIKeyPUCVWKUYSOHGJB-UHFFFAOYSA-N
XLogP1.13
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-morpholin-4-ylpyrimidin-4-yl)-3-(triazol-1-ylmethyl)piperidin-3-ol
CID 154756604
5-[6-(2-methylpropoxy)pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-ol
CID 139009395
6-(2-methylpropoxy)-N-[2-(triazol-1-yl)ethyl]pyrazin-2-amine
CID 133449496
1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(triazol-1-ylmethyl)piperidin-3-ol
CID 167850598
(1-methylimidazol-2-yl)-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]methanol
CID 133395788
1-[6-(cyclopentylmethoxy)pyrazin-2-yl]-3-methylpyrrolidin-3-ol
CID 133485388
1-(triazol-1-ylmethyl)cyclopropan-1-ol
CID 84648394
1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol
CID 166259050
5-chloro-2-[3-hydroxy-3-(triazol-1-ylmethyl)piperidin-1-yl]benzonitrile
CID 154736395
2-cyclopentyl-N-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]acetamide
CID 167844405
5-cyclopropyl-3-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-1,2,4-oxadiazole
CID 133474973
[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone
CID 154862545

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methylpropoxy)pyrazin-2-yl]-3-(triazol-1-ylmethyl)piperidin-3-ol?
The IUPAC name of 1-[6-(2-methylpropoxy)pyrazin-2-yl]-3-(triazol-1-ylmethyl)piperidin-3-ol (CID 154745336) is 1-[6-(2-methylpropoxy)pyrazin-2-yl]-3-(triazol-1-ylmethyl)piperidin-3-ol.
What is the SMILES notation for 1-[6-(2-methylpropoxy)pyrazin-2-yl]-3-(triazol-1-ylmethyl)piperidin-3-ol?
The canonical SMILES for 1-[6-(2-methylpropoxy)pyrazin-2-yl]-3-(triazol-1-ylmethyl)piperidin-3-ol is CC(C)COc1cncc(N2CCCC(O)(Cn3ccnn3)C2)n1.
What is the InChIKey of 1-[6-(2-methylpropoxy)pyrazin-2-yl]-3-(triazol-1-ylmethyl)piperidin-3-ol?
The InChIKey is PUCVWKUYSOHGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-13(2)10-24-15-9-17-8-14(19-15)21-6-3-4-16(23,11-21)12-22-7-5-18-20-22/h5,7-9,13,23H,3-4,6,10-12H2,1-2H3.
What are the key properties of 1-[6-(2-methylpropoxy)pyrazin-2-yl]-3-(triazol-1-ylmethyl)piperidin-3-ol?
1-[6-(2-methylpropoxy)pyrazin-2-yl]-3-(triazol-1-ylmethyl)piperidin-3-ol has a molecular weight of 332.41 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methylpropoxy)pyrazin-2-yl]-3-(triazol-1-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 154745336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).