(2R)-1-[1-[1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol

C18H28N6O — CID 31161314

IUPAC(2R)-1-[1-[1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol
SMILESCc1nc(C)c(CN2CCC(n3cc(C[C@@H](C)O)nn3)CC2)nc1C
InChIInChI=1S/C18H28N6O/c1-12(25)9-16-10-24(22-21-16)17-5-7-23(8-6-17)11-18-15(4)19-13(2)14(3)20-18/h10,12,17,25H,5-9,11H2,1-4H3/t12-/m1/s1
InChIKeyLGWQRIYLPHRORC-GFCCVEGCSA-N
MW344.46 g/mol
LogP1.75
Rot. Bonds5

About (2R)-1-[1-[1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol

(2R)-1-[1-[1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol (PubChem CID 31161314) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is (2R)-1-[1-[1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[1-[1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol
PubChem CID31161314
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name(2R)-1-[1-[1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol
SMILESCc1nc(C)c(CN2CCC(n3cc(C[C@@H](C)O)nn3)CC2)nc1C
InChIInChI=1S/C18H28N6O/c1-12(25)9-16-10-24(22-21-16)17-5-7-23(8-6-17)11-18-15(4)19-13(2)14(3)20-18/h10,12,17,25H,5-9,11H2,1-4H3/t12-/m1/s1
InChIKeyLGWQRIYLPHRORC-GFCCVEGCSA-N
XLogP1.75
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-1-[1-[1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[1-[1-[3-(azepan-1-yl)-2,2-dimethylpropyl]piperidin-4-yl]triazol-4-yl]propan-2-ol
CID 95046606
(3,5-dimethyl-1H-pyrrol-2-yl)-[4-[4-(2-hydroxypropyl)triazol-1-yl]piperidin-1-yl]methanone
CID 45186032
1-[1-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol
CID 45199817
1-[1-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]triazol-4-yl]ethanol
CID 45240490
(3S)-1-[[1-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-3-ol
CID 31135307
(2S)-2-[4-[4-(azepan-1-ylmethyl)triazol-1-yl]piperidin-1-yl]-N,N-dimethylpropan-1-amine
CID 95046771
1-[1-[1-(3-methylbutyl)piperidin-4-yl]triazol-4-yl]ethanol
CID 45181874
N-methyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine
CID 46995833
[1-[(3S)-1-propylpyrrolidin-3-yl]triazol-4-yl]methanol
CID 129496812
N-[[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]methyl]propan-2-amine
CID 171743056
2-[(4-ethylpiperazin-1-yl)methyl]-3,5,6-trimethylpyrazine
CID 86247352
4-[4-(1,4-diazepan-1-ylmethyl)triazol-1-yl]-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide
CID 30882220

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-[1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol?
The IUPAC name of (2R)-1-[1-[1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol (CID 31161314) is (2R)-1-[1-[1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[1-[1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[1-[1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol is Cc1nc(C)c(CN2CCC(n3cc(C[C@@H](C)O)nn3)CC2)nc1C.
What is the InChIKey of (2R)-1-[1-[1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol?
The InChIKey is LGWQRIYLPHRORC-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H28N6O/c1-12(25)9-16-10-24(22-21-16)17-5-7-23(8-6-17)11-18-15(4)19-13(2)14(3)20-18/h10,12,17,25H,5-9,11H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-1-[1-[1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol?
(2R)-1-[1-[1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol has a molecular weight of 344.46 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-[1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 31161314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).