1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol

C14H20N4O — CID 82729587

IUPAC1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
SMILESCCc1cccnc1C(O)Cc1ncnn1C(C)C
InChIInChI=1S/C14H20N4O/c1-4-11-6-5-7-15-14(11)12(19)8-13-16-9-17-18(13)10(2)3/h5-7,9-10,12,19H,4,8H2,1-3H3
InChIKeySLQHORWSUKAGBA-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.09
Rot. Bonds5

About 1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol

1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol (PubChem CID 82729587) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
PubChem CID82729587
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
SMILESCCc1cccnc1C(O)Cc1ncnn1C(C)C
InChIInChI=1S/C14H20N4O/c1-4-11-6-5-7-15-14(11)12(19)8-13-16-9-17-18(13)10(2)3/h5-7,9-10,12,19H,4,8H2,1-3H3
InChIKeySLQHORWSUKAGBA-UHFFFAOYSA-N
XLogP2.09
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol with MolForge

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Related Compounds

1-(2-methoxy-3-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 105107858
1-(4-methylsulfanylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 115813779
2-(4-tert-butylphenyl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 82732445
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methanol
CID 114645350
1-(2-propan-2-yl-1,2,4-triazol-3-yl)butane-2,3-diol
CID 103452773
3-[2-(3-ethyl-2-pyridinyl)-2-hydroxyethyl]phenol
CID 82730497
2-(4-chloro-2-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 114855034
1-(3-bromothiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 113298221
1-(5-fluoro-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 79723844
1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 103443585
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 82730481
1-(2-propan-2-yl-1,2,4-triazol-3-yl)hexane-2,3-diol
CID 103454995

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol (CID 82729587) is 1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol is CCc1cccnc1C(O)Cc1ncnn1C(C)C.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is SLQHORWSUKAGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-11-6-5-7-15-14(11)12(19)8-13-16-9-17-18(13)10(2)3/h5-7,9-10,12,19H,4,8H2,1-3H3.
What are the key properties of 1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 260.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 82729587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).