3-[[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]piperidin-3-ol

C16H24N6O — CID 167850898

IUPAC3-[[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]piperidin-3-ol
SMILESOC1(CN2CCC(c3nnc4cnccn34)CC2)CCCNC1
InChIInChI=1S/C16H24N6O/c23-16(4-1-5-18-11-16)12-21-7-2-13(3-8-21)15-20-19-14-10-17-6-9-22(14)15/h6,9-10,13,18,23H,1-5,7-8,11-12H2
InChIKeyNDLMFFVOMATCIE-UHFFFAOYSA-N
MW316.41 g/mol
LogP0.42
Rot. Bonds3

About 3-[[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]piperidin-3-ol

3-[[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]piperidin-3-ol (PubChem CID 167850898) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-[[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]piperidin-3-ol
PubChem CID167850898
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name3-[[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]piperidin-3-ol
SMILESOC1(CN2CCC(c3nnc4cnccn34)CC2)CCCNC1
InChIInChI=1S/C16H24N6O/c23-16(4-1-5-18-11-16)12-21-7-2-13(3-8-21)15-20-19-14-10-17-6-9-22(14)15/h6,9-10,13,18,23H,1-5,7-8,11-12H2
InChIKeyNDLMFFVOMATCIE-UHFFFAOYSA-N
XLogP0.42
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]piperidin-3-ol with MolForge

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Related Compounds

1-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]cyclopentan-1-ol
CID 126913279
4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)cyclohexan-1-amine
CID 60810985
2,2,2-trifluoro-1-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 166610070
2-(1-hydroxycyclohexyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 111331645
5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 166231016
(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 129407519
3-(azocan-1-ylmethyl)pyrrolidin-3-ol
CID 84679274
3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrrolidin-3-ol
CID 70733539
1-[(1-hydroxycyclopentyl)methyl]piperidin-4-ol
CID 65213146
3-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol
CID 164648785
3-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]oxan-3-ol
CID 126911780
1-methylsulfonyl-3-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]piperidin-3-ol
CID 126910370

Frequently Asked Questions

What is the IUPAC name of 3-[[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]piperidin-3-ol?
The IUPAC name of 3-[[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]piperidin-3-ol (CID 167850898) is 3-[[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 3-[[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]piperidin-3-ol?
The canonical SMILES for 3-[[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]piperidin-3-ol is OC1(CN2CCC(c3nnc4cnccn34)CC2)CCCNC1.
What is the InChIKey of 3-[[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]piperidin-3-ol?
The InChIKey is NDLMFFVOMATCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c23-16(4-1-5-18-11-16)12-21-7-2-13(3-8-21)15-20-19-14-10-17-6-9-22(14)15/h6,9-10,13,18,23H,1-5,7-8,11-12H2.
What are the key properties of 3-[[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]piperidin-3-ol?
3-[[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]piperidin-3-ol has a molecular weight of 316.41 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 167850898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).