1-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanol

C9H17N5O — CID 102794422

IUPAC1-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanol
SMILESCC(O)c1nc(N2CCCC(N)C2)n[nH]1
InChIInChI=1S/C9H17N5O/c1-6(15)8-11-9(13-12-8)14-4-2-3-7(10)5-14/h6-7,15H,2-5,10H2,1H3,(H,11,12,13)
InChIKeyBAGDSLUSXOSBAU-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.21
Rot. Bonds2

About 1-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanol

1-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanol (PubChem CID 102794422) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanol
PubChem CID102794422
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name1-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanol
SMILESCC(O)c1nc(N2CCCC(N)C2)n[nH]1
InChIInChI=1S/C9H17N5O/c1-6(15)8-11-9(13-12-8)14-4-2-3-7(10)5-14/h6-7,15H,2-5,10H2,1H3,(H,11,12,13)
InChIKeyBAGDSLUSXOSBAU-UHFFFAOYSA-N
XLogP-0.21
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanol?
The IUPAC name of 1-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanol (CID 102794422) is 1-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanol is CC(O)c1nc(N2CCCC(N)C2)n[nH]1.
What is the InChIKey of 1-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanol?
The InChIKey is BAGDSLUSXOSBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-6(15)8-11-9(13-12-8)14-4-2-3-7(10)5-14/h6-7,15H,2-5,10H2,1H3,(H,11,12,13).
What are the key properties of 1-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanol?
1-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanol has a molecular weight of 211.27 g/mol, XLogP of -0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanol is sourced from PubChem (CID 102794422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).