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

C15H26N4O — CID 117152228

IUPAC[3-[(1-ethylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol
SMILESCCN1CCCCC1Cc1nnc2n1CCCC2CO
InChIInChI=1S/C15H26N4O/c1-2-18-8-4-3-7-13(18)10-14-16-17-15-12(11-20)6-5-9-19(14)15/h12-13,20H,2-11H2,1H3
InChIKeyBHFGFXNGTNOTML-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.56
Rot. Bonds4

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

[3-[(1-ethylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol (PubChem CID 117152228) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [3-[(1-ethylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol.

Molecular Properties

Compound Name[3-[(1-ethylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol
PubChem CID117152228
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[3-[(1-ethylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol
SMILESCCN1CCCCC1Cc1nnc2n1CCCC2CO
InChIInChI=1S/C15H26N4O/c1-2-18-8-4-3-7-13(18)10-14-16-17-15-12(11-20)6-5-9-19(14)15/h12-13,20H,2-11H2,1H3
InChIKeyBHFGFXNGTNOTML-UHFFFAOYSA-N
XLogP1.56
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(1-ethylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol?
The IUPAC name of [3-[(1-ethylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol (CID 117152228) is [3-[(1-ethylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol.
What is the SMILES notation for [3-[(1-ethylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol?
The canonical SMILES for [3-[(1-ethylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol is CCN1CCCCC1Cc1nnc2n1CCCC2CO.
What is the InChIKey of [3-[(1-ethylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol?
The InChIKey is BHFGFXNGTNOTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-18-8-4-3-7-13(18)10-14-16-17-15-12(11-20)6-5-9-19(14)15/h12-13,20H,2-11H2,1H3.
What are the key properties of [3-[(1-ethylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol?
[3-[(1-ethylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol has a molecular weight of 278.40 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-ethylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol is sourced from PubChem (CID 117152228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).