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

C15H26N4O — CID 117150908

IUPAC[3-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
SMILESCC(C)N1CCCCC1c1nnc2n1CCC(CO)C2
InChIInChI=1S/C15H26N4O/c1-11(2)18-7-4-3-5-13(18)15-17-16-14-9-12(10-20)6-8-19(14)15/h11-13,20H,3-10H2,1-2H3
InChIKeyAMIPJJNRTQITBP-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.77
Rot. Bonds3

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

[3-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol (PubChem CID 117150908) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [3-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
PubChem CID117150908
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[3-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
SMILESCC(C)N1CCCCC1c1nnc2n1CCC(CO)C2
InChIInChI=1S/C15H26N4O/c1-11(2)18-7-4-3-5-13(18)15-17-16-14-9-12(10-20)6-8-19(14)15/h11-13,20H,3-10H2,1-2H3
InChIKeyAMIPJJNRTQITBP-UHFFFAOYSA-N
XLogP1.77
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.77
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-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol?
The IUPAC name of [3-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol (CID 117150908) is [3-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol.
What is the SMILES notation for [3-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol is CC(C)N1CCCCC1c1nnc2n1CCC(CO)C2.
What is the InChIKey of [3-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol?
The InChIKey is AMIPJJNRTQITBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)18-7-4-3-5-13(18)15-17-16-14-9-12(10-20)6-8-19(14)15/h11-13,20H,3-10H2,1-2H3.
What are the key properties of [3-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol?
[3-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol has a molecular weight of 278.40 g/mol, XLogP of 1.77, 3 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-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol is sourced from PubChem (CID 117150908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).