[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol

C16H28N4O — CID 117149604

IUPAC[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol
SMILESCC(C)N1CCCC(Cc2nnc3n2C(CO)CCC3)C1
InChIInChI=1S/C16H28N4O/c1-12(2)19-8-4-5-13(10-19)9-16-18-17-15-7-3-6-14(11-21)20(15)16/h12-14,21H,3-11H2,1-2H3
InChIKeyZFOYFUQLEAMLNB-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.81
Rot. Bonds4

About [3-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol

[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol (PubChem CID 117149604) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is [3-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol.

Molecular Properties

Compound Name[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol
PubChem CID117149604
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol
SMILESCC(C)N1CCCC(Cc2nnc3n2C(CO)CCC3)C1
InChIInChI=1S/C16H28N4O/c1-12(2)19-8-4-5-13(10-19)9-16-18-17-15-7-3-6-14(11-21)20(15)16/h12-14,21H,3-11H2,1-2H3
InChIKeyZFOYFUQLEAMLNB-UHFFFAOYSA-N
XLogP1.81
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol?
The IUPAC name of [3-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol (CID 117149604) is [3-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol.
What is the SMILES notation for [3-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol?
The canonical SMILES for [3-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol is CC(C)N1CCCC(Cc2nnc3n2C(CO)CCC3)C1.
What is the InChIKey of [3-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol?
The InChIKey is ZFOYFUQLEAMLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)19-8-4-5-13(10-19)9-16-18-17-15-7-3-6-14(11-21)20(15)16/h12-14,21H,3-11H2,1-2H3.
What are the key properties of [3-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol?
[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol has a molecular weight of 292.43 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol is sourced from PubChem (CID 117149604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).