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

C12H19N5O — CID 103572689

IUPAC2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(O)Cc2ncnn2CC)cn1
InChIInChI=1S/C12H19N5O/c1-3-5-16-8-10(7-14-16)11(18)6-12-13-9-15-17(12)4-2/h7-9,11,18H,3-6H2,1-2H3
InChIKeyHPEYOOMCOYTBPN-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.18
Rot. Bonds6

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

2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propylpyrazol-4-yl)ethanol (PubChem CID 103572689) 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-propylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propylpyrazol-4-yl)ethanol
PubChem CID103572689
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(O)Cc2ncnn2CC)cn1
InChIInChI=1S/C12H19N5O/c1-3-5-16-8-10(7-14-16)11(18)6-12-13-9-15-17(12)4-2/h7-9,11,18H,3-6H2,1-2H3
InChIKeyHPEYOOMCOYTBPN-UHFFFAOYSA-N
XLogP1.18
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.18
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-propan-2-ylpyrazol-4-yl)ethanol
CID 114075656
1-[4-(difluoromethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 115524867
1-(5-chloro-1-methylimidazol-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 114239421
2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572594
2-(2-methyltetrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 107046537
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572643
2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572665
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-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109691
1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109766
1-(4-methylsulfonylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 115816575

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propylpyrazol-4-yl)ethanol (CID 103572689) is 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propylpyrazol-4-yl)ethanol is CCCn1cc(C(O)Cc2ncnn2CC)cn1.
What is the InChIKey of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propylpyrazol-4-yl)ethanol?
The InChIKey is HPEYOOMCOYTBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-5-16-8-10(7-14-16)11(18)6-12-13-9-15-17(12)4-2/h7-9,11,18H,3-6H2,1-2H3.
What are the key properties of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propylpyrazol-4-yl)ethanol?
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propylpyrazol-4-yl)ethanol has a molecular weight of 249.32 g/mol, XLogP of 1.18, 6 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-propylpyrazol-4-yl)ethanol is sourced from PubChem (CID 103572689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).