(4-piperidin-1-yl-1,2,4-triazol-3-yl)methanol

C8H14N4O — CID 83026916

IUPAC(4-piperidin-1-yl-1,2,4-triazol-3-yl)methanol
SMILESOCc1nncn1N1CCCCC1
InChIInChI=1S/C8H14N4O/c13-6-8-10-9-7-12(8)11-4-2-1-3-5-11/h7,13H,1-6H2
InChIKeyWSLVYESMAICDOA-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.11
Rot. Bonds2

About (4-piperidin-1-yl-1,2,4-triazol-3-yl)methanol

(4-piperidin-1-yl-1,2,4-triazol-3-yl)methanol (PubChem CID 83026916) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is (4-piperidin-1-yl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(4-piperidin-1-yl-1,2,4-triazol-3-yl)methanol
PubChem CID83026916
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name(4-piperidin-1-yl-1,2,4-triazol-3-yl)methanol
SMILESOCc1nncn1N1CCCCC1
InChIInChI=1S/C8H14N4O/c13-6-8-10-9-7-12(8)11-4-2-1-3-5-11/h7,13H,1-6H2
InChIKeyWSLVYESMAICDOA-UHFFFAOYSA-N
XLogP-0.11
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-yl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (4-piperidin-1-yl-1,2,4-triazol-3-yl)methanol (CID 83026916) is (4-piperidin-1-yl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (4-piperidin-1-yl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (4-piperidin-1-yl-1,2,4-triazol-3-yl)methanol is OCc1nncn1N1CCCCC1.
What is the InChIKey of (4-piperidin-1-yl-1,2,4-triazol-3-yl)methanol?
The InChIKey is WSLVYESMAICDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c13-6-8-10-9-7-12(8)11-4-2-1-3-5-11/h7,13H,1-6H2.
What are the key properties of (4-piperidin-1-yl-1,2,4-triazol-3-yl)methanol?
(4-piperidin-1-yl-1,2,4-triazol-3-yl)methanol has a molecular weight of 182.23 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-yl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 83026916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).