3-ethyl-4-pyrrol-1-yl-1,2,4-triazole

C8H10N4 — CID 54123138

IUPAC3-ethyl-4-pyrrol-1-yl-1,2,4-triazole
SMILESCCc1nncn1-n1cccc1
InChIInChI=1S/C8H10N4/c1-2-8-10-9-7-12(8)11-5-3-4-6-11/h3-7H,2H2,1H3
InChIKeyHUKDLZFPJQWNHG-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.95
Rot. Bonds2

About 3-ethyl-4-pyrrol-1-yl-1,2,4-triazole

3-ethyl-4-pyrrol-1-yl-1,2,4-triazole (PubChem CID 54123138) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 3-ethyl-4-pyrrol-1-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-4-pyrrol-1-yl-1,2,4-triazole
PubChem CID54123138
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name3-ethyl-4-pyrrol-1-yl-1,2,4-triazole
SMILESCCc1nncn1-n1cccc1
InChIInChI=1S/C8H10N4/c1-2-8-10-9-7-12(8)11-5-3-4-6-11/h3-7H,2H2,1H3
InChIKeyHUKDLZFPJQWNHG-UHFFFAOYSA-N
XLogP0.95
TPSA35.64 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 ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 647722
[1,2,4]Triazolo[1,5-b]pyridazine
CID 12212523
1,2,4-Triazolo(4,3-b)pyridazine
CID 577392
6-(Pyrrolidin-1-yl)imidazo[1,2-b]pyridazine
CID 23657729
4-(Pyrrol-1-yl)-1,2,4-triazole
CID 12203607
Pyrrolo[1,2-d]tetrazole
CID 21226033
1-ethyl-3-[(1Z,3E)-4-pyrrol-1-ylbuta-1,3-dienyl]-1,2,4-triazole
CID 44472415
Pyrrolo[1,2-b][1,2,4,5]tetrazine
CID 129872858
[1-methyl-5-(1H-pyrrol-3-yl)-1,2,4-triazol-3-yl]methanamine
CID 136306249
1-ethyl-3-[(1Z,3E)-4-pyrrol-1-ylbuta-1,3-dienyl]-1,2,4-triazole
CID 139190196
(2-Pyrrolidin-1-yl)imidazo[1,2-b]pyridazine
CID 154700609
1-Pyrrol-1-yltetrazol-5-amine
CID 335457

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-pyrrol-1-yl-1,2,4-triazole?
The IUPAC name of 3-ethyl-4-pyrrol-1-yl-1,2,4-triazole (CID 54123138) is 3-ethyl-4-pyrrol-1-yl-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-4-pyrrol-1-yl-1,2,4-triazole?
The canonical SMILES for 3-ethyl-4-pyrrol-1-yl-1,2,4-triazole is CCc1nncn1-n1cccc1.
What is the InChIKey of 3-ethyl-4-pyrrol-1-yl-1,2,4-triazole?
The InChIKey is HUKDLZFPJQWNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-2-8-10-9-7-12(8)11-5-3-4-6-11/h3-7H,2H2,1H3.
What are the key properties of 3-ethyl-4-pyrrol-1-yl-1,2,4-triazole?
3-ethyl-4-pyrrol-1-yl-1,2,4-triazole has a molecular weight of 162.20 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-pyrrol-1-yl-1,2,4-triazole is sourced from PubChem (CID 54123138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).