1-[1-(2H-pyrrol-5-yl)ethyl]-1,2,4-triazole

C8H10N4 — CID 58270149

IUPAC1-[1-(2H-pyrrol-5-yl)ethyl]-1,2,4-triazole
SMILESCC(C1=NCC=C1)n1cncn1
InChIInChI=1S/C8H10N4/c1-7(8-3-2-4-10-8)12-6-9-5-11-12/h2-3,5-7H,4H2,1H3
InChIKeyXGGNVZHJESZQMY-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.85
Rot. Bonds2

About 1-[1-(2H-pyrrol-5-yl)ethyl]-1,2,4-triazole

1-[1-(2H-pyrrol-5-yl)ethyl]-1,2,4-triazole (PubChem CID 58270149) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 1-[1-(2H-pyrrol-5-yl)ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[1-(2H-pyrrol-5-yl)ethyl]-1,2,4-triazole
PubChem CID58270149
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name1-[1-(2H-pyrrol-5-yl)ethyl]-1,2,4-triazole
SMILESCC(C1=NCC=C1)n1cncn1
InChIInChI=1S/C8H10N4/c1-7(8-3-2-4-10-8)12-6-9-5-11-12/h2-3,5-7H,4H2,1H3
InChIKeyXGGNVZHJESZQMY-UHFFFAOYSA-N
XLogP0.85
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Pent-3-en-2-yl-1,2,4-triazole
CID 123592496
1-Hex-2-enyl-1,2,4-triazole
CID 140996416
3-ethyl-4-(1,2,4-triazol-1-yl)-2H-indole
CID 163719210
1-[(1R)-cyclohexa-2,4-dien-1-yl]-1,2,4-triazole
CID 124638455
1-[(1S)-cyclohexa-2,4-dien-1-yl]-1,2,4-triazole
CID 124638456
1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole
CID 143413696
6-(1H-1,2,4-triazol-1-yl)hex-3-en-2-amine
CID 165785010

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2H-pyrrol-5-yl)ethyl]-1,2,4-triazole?
The IUPAC name of 1-[1-(2H-pyrrol-5-yl)ethyl]-1,2,4-triazole (CID 58270149) is 1-[1-(2H-pyrrol-5-yl)ethyl]-1,2,4-triazole.
What is the SMILES notation for 1-[1-(2H-pyrrol-5-yl)ethyl]-1,2,4-triazole?
The canonical SMILES for 1-[1-(2H-pyrrol-5-yl)ethyl]-1,2,4-triazole is CC(C1=NCC=C1)n1cncn1.
What is the InChIKey of 1-[1-(2H-pyrrol-5-yl)ethyl]-1,2,4-triazole?
The InChIKey is XGGNVZHJESZQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-7(8-3-2-4-10-8)12-6-9-5-11-12/h2-3,5-7H,4H2,1H3.
What are the key properties of 1-[1-(2H-pyrrol-5-yl)ethyl]-1,2,4-triazole?
1-[1-(2H-pyrrol-5-yl)ethyl]-1,2,4-triazole has a molecular weight of 162.20 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2H-pyrrol-5-yl)ethyl]-1,2,4-triazole is sourced from PubChem (CID 58270149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).