1-[1-(5-methyl-3-pyridinyl)triazol-4-yl]ethanol

C10H12N4O — CID 107586775

IUPAC1-[1-(5-methyl-3-pyridinyl)triazol-4-yl]ethanol
SMILESCc1cncc(-n2cc(C(C)O)nn2)c1
InChIInChI=1S/C10H12N4O/c1-7-3-9(5-11-4-7)14-6-10(8(2)15)12-13-14/h3-6,8,15H,1-2H3
InChIKeyCXSFGBPNGBMLOI-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.02
Rot. Bonds2

About 1-[1-(5-methyl-3-pyridinyl)triazol-4-yl]ethanol

1-[1-(5-methyl-3-pyridinyl)triazol-4-yl]ethanol (PubChem CID 107586775) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-[1-(5-methyl-3-pyridinyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(5-methyl-3-pyridinyl)triazol-4-yl]ethanol
PubChem CID107586775
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-[1-(5-methyl-3-pyridinyl)triazol-4-yl]ethanol
SMILESCc1cncc(-n2cc(C(C)O)nn2)c1
InChIInChI=1S/C10H12N4O/c1-7-3-9(5-11-4-7)14-6-10(8(2)15)12-13-14/h3-6,8,15H,1-2H3
InChIKeyCXSFGBPNGBMLOI-UHFFFAOYSA-N
XLogP1.02
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol
CID 129393826
(1S)-1-[1-(4-tert-butylphenyl)triazol-4-yl]ethanol
CID 129393823
(1S)-1-[1-(4-methylsulfanylphenyl)triazol-4-yl]ethanol
CID 129393821
1-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]ethanol
CID 81444929
1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol
CID 81445194
3-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-1-yl]pyridine
CID 172993349
(1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 129393829
1-(1-quinolin-6-yltriazol-4-yl)ethanol
CID 81444375
4-(1-bromoethyl)-1-(3-methylphenyl)triazole
CID 81445146
1-[1-(5-methyl-2-nitrophenyl)triazol-4-yl]ethanol
CID 112557868
1-[1-(3-bromo-4-nitrophenyl)triazol-4-yl]ethanol
CID 82866649
4-amino-1-(5-methyl-3-pyridinyl)pyrazole-3-carboxamide
CID 107346539

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-3-pyridinyl)triazol-4-yl]ethanol?
The IUPAC name of 1-[1-(5-methyl-3-pyridinyl)triazol-4-yl]ethanol (CID 107586775) is 1-[1-(5-methyl-3-pyridinyl)triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(5-methyl-3-pyridinyl)triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(5-methyl-3-pyridinyl)triazol-4-yl]ethanol is Cc1cncc(-n2cc(C(C)O)nn2)c1.
What is the InChIKey of 1-[1-(5-methyl-3-pyridinyl)triazol-4-yl]ethanol?
The InChIKey is CXSFGBPNGBMLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7-3-9(5-11-4-7)14-6-10(8(2)15)12-13-14/h3-6,8,15H,1-2H3.
What are the key properties of 1-[1-(5-methyl-3-pyridinyl)triazol-4-yl]ethanol?
1-[1-(5-methyl-3-pyridinyl)triazol-4-yl]ethanol has a molecular weight of 204.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-3-pyridinyl)triazol-4-yl]ethanol is sourced from PubChem (CID 107586775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).