4-cyclopropyl-3-(2-ethylpyrrolidin-2-yl)-5-methyl-1,2,4-triazole

C12H20N4 — CID 83079758

IUPAC4-cyclopropyl-3-(2-ethylpyrrolidin-2-yl)-5-methyl-1,2,4-triazole
SMILESCCC1(c2nnc(C)n2C2CC2)CCCN1
InChIInChI=1S/C12H20N4/c1-3-12(7-4-8-13-12)11-15-14-9(2)16(11)10-5-6-10/h10,13H,3-8H2,1-2H3
InChIKeyUETIWZAUXDRQQD-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.91
Rot. Bonds3

About 4-cyclopropyl-3-(2-ethylpyrrolidin-2-yl)-5-methyl-1,2,4-triazole

4-cyclopropyl-3-(2-ethylpyrrolidin-2-yl)-5-methyl-1,2,4-triazole (PubChem CID 83079758) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-cyclopropyl-3-(2-ethylpyrrolidin-2-yl)-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopropyl-3-(2-ethylpyrrolidin-2-yl)-5-methyl-1,2,4-triazole
PubChem CID83079758
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-cyclopropyl-3-(2-ethylpyrrolidin-2-yl)-5-methyl-1,2,4-triazole
SMILESCCC1(c2nnc(C)n2C2CC2)CCCN1
InChIInChI=1S/C12H20N4/c1-3-12(7-4-8-13-12)11-15-14-9(2)16(11)10-5-6-10/h10,13H,3-8H2,1-2H3
InChIKeyUETIWZAUXDRQQD-UHFFFAOYSA-N
XLogP1.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-(2-ethylpyrrolidin-2-yl)-5-methyl-1,2,4-triazole?
The IUPAC name of 4-cyclopropyl-3-(2-ethylpyrrolidin-2-yl)-5-methyl-1,2,4-triazole (CID 83079758) is 4-cyclopropyl-3-(2-ethylpyrrolidin-2-yl)-5-methyl-1,2,4-triazole.
What is the SMILES notation for 4-cyclopropyl-3-(2-ethylpyrrolidin-2-yl)-5-methyl-1,2,4-triazole?
The canonical SMILES for 4-cyclopropyl-3-(2-ethylpyrrolidin-2-yl)-5-methyl-1,2,4-triazole is CCC1(c2nnc(C)n2C2CC2)CCCN1.
What is the InChIKey of 4-cyclopropyl-3-(2-ethylpyrrolidin-2-yl)-5-methyl-1,2,4-triazole?
The InChIKey is UETIWZAUXDRQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-3-12(7-4-8-13-12)11-15-14-9(2)16(11)10-5-6-10/h10,13H,3-8H2,1-2H3.
What are the key properties of 4-cyclopropyl-3-(2-ethylpyrrolidin-2-yl)-5-methyl-1,2,4-triazole?
4-cyclopropyl-3-(2-ethylpyrrolidin-2-yl)-5-methyl-1,2,4-triazole has a molecular weight of 220.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-(2-ethylpyrrolidin-2-yl)-5-methyl-1,2,4-triazole is sourced from PubChem (CID 83079758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).