1-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethanol

C9H11N5O — CID 163574953

IUPAC1-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethanol
SMILESCC(O)n1cnnc1-c1cccc(N)n1
InChIInChI=1S/C9H11N5O/c1-6(15)14-5-11-13-9(14)7-3-2-4-8(10)12-7/h2-6,15H,1H3,(H2,10,12)
InChIKeyGCQYTCYEDBMDNM-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.43
Rot. Bonds2

About 1-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethanol

1-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethanol (PubChem CID 163574953) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethanol
PubChem CID163574953
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name1-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethanol
SMILESCC(O)n1cnnc1-c1cccc(N)n1
InChIInChI=1S/C9H11N5O/c1-6(15)14-5-11-13-9(14)7-3-2-4-8(10)12-7/h2-6,15H,1H3,(H2,10,12)
InChIKeyGCQYTCYEDBMDNM-UHFFFAOYSA-N
XLogP0.43
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethanol?
The IUPAC name of 1-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethanol (CID 163574953) is 1-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethanol.
What is the SMILES notation for 1-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethanol?
The canonical SMILES for 1-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethanol is CC(O)n1cnnc1-c1cccc(N)n1.
What is the InChIKey of 1-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethanol?
The InChIKey is GCQYTCYEDBMDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-6(15)14-5-11-13-9(14)7-3-2-4-8(10)12-7/h2-6,15H,1H3,(H2,10,12).
What are the key properties of 1-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethanol?
1-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethanol has a molecular weight of 205.22 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]ethanol is sourced from PubChem (CID 163574953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).