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

C12H19N5O — CID 114075656

IUPAC2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethanol
SMILESCCn1ncnc1CC(O)c1cnn(C(C)C)c1
InChIInChI=1S/C12H19N5O/c1-4-16-12(13-8-15-16)5-11(18)10-6-14-17(7-10)9(2)3/h6-9,11,18H,4-5H2,1-3H3
InChIKeyYNKUKCCNXRNXQG-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.35
Rot. Bonds5

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

2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethanol (PubChem CID 114075656) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethanol
PubChem CID114075656
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethanol
SMILESCCn1ncnc1CC(O)c1cnn(C(C)C)c1
InChIInChI=1S/C12H19N5O/c1-4-16-12(13-8-15-16)5-11(18)10-6-14-17(7-10)9(2)3/h6-9,11,18H,4-5H2,1-3H3
InChIKeyYNKUKCCNXRNXQG-UHFFFAOYSA-N
XLogP1.35
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572689
1-[4-(difluoromethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 115524867
1-(5-bromothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 105109063
1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 106695795
1-(5-chloro-1-methylimidazol-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 114239421
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
CID 103128980
3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-ol
CID 116752758
1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312559
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
1-(3-chloro-2-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 107103402
1-(2-ethyl-1,2,4-triazol-3-yl)-3-hydroxybutan-2-one
CID 103451467

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethanol (CID 114075656) is 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethanol is CCn1ncnc1CC(O)c1cnn(C(C)C)c1.
What is the InChIKey of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethanol?
The InChIKey is YNKUKCCNXRNXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-4-16-12(13-8-15-16)5-11(18)10-6-14-17(7-10)9(2)3/h6-9,11,18H,4-5H2,1-3H3.
What are the key properties of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethanol?
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethanol has a molecular weight of 249.32 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethanol is sourced from PubChem (CID 114075656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).