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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Related Compounds

6-[4-(1,1,3-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine
CID 175561679
2-bromo-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine;ethane
CID 142619227
1-phenyl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]thiourea;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;pyridin-2-amine;thiocarbonyl dichloride
CID 161458153
propyl 2-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]acetate
CID 175002110
2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol
CID 135376035
5-amino-3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-1-carboxamide
CID 151285009
5-chloro-2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;5-chloro-2-methoxypyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
CID 159133483
2-bromo-6-[4-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazol-3-yl]pyridine
CID 155892977
6-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyridin-2-amine
CID 66022490
1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-ol
CID 138465187
3-(4-propan-2-yl-1,2,4-triazol-3-yl)aniline
CID 62695272
3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-imidazol-2-one
CID 154636541

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).