1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol

C12H17N5O — CID 105109766

IUPAC1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
SMILESCCCn1ncnc1CC(O)c1cnc(C)cn1
InChIInChI=1S/C12H17N5O/c1-3-4-17-12(15-8-16-17)5-11(18)10-7-13-9(2)6-14-10/h6-8,11,18H,3-5H2,1-2H3
InChIKeyNIZNCYXIRRSMCD-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.06
Rot. Bonds5

About 1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol

1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 105109766) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
PubChem CID105109766
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
SMILESCCCn1ncnc1CC(O)c1cnc(C)cn1
InChIInChI=1S/C12H17N5O/c1-3-4-17-12(15-8-16-17)5-11(18)10-7-13-9(2)6-14-10/h6-8,11,18H,3-5H2,1-2H3
InChIKeyNIZNCYXIRRSMCD-UHFFFAOYSA-N
XLogP1.06
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109691
1-(2-methyl-3-pyridinyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109761
1-(2-methylfuran-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 104789442
3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 115816529
3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 115816584
[1-(5-methylpyrazin-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316546
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109760
5-[2-(chloromethyl)butyl]-1-propyl-1,2,4-triazole
CID 66034116
1-(2-propyl-1,2,4-triazol-3-yl)undecan-2-ol
CID 115816507
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanol
CID 105109618
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572689
1-(4-methylsulfonylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 115816575

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol (CID 105109766) is 1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol is CCCn1ncnc1CC(O)c1cnc(C)cn1.
What is the InChIKey of 1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is NIZNCYXIRRSMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-4-17-12(15-8-16-17)5-11(18)10-7-13-9(2)6-14-10/h6-8,11,18H,3-5H2,1-2H3.
What are the key properties of 1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 247.30 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 105109766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).