5-[(2-ethylpyrrolidin-2-yl)methyl]-1-propan-2-yl-1,2,4-triazole

C12H22N4 — CID 66466460

IUPAC5-[(2-ethylpyrrolidin-2-yl)methyl]-1-propan-2-yl-1,2,4-triazole
SMILESCCC1(Cc2ncnn2C(C)C)CCCN1
InChIInChI=1S/C12H22N4/c1-4-12(6-5-7-14-12)8-11-13-9-15-16(11)10(2)3/h9-10,14H,4-8H2,1-3H3
InChIKeyJVDMEIXGXKPLCN-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.93
Rot. Bonds4

About 5-[(2-ethylpyrrolidin-2-yl)methyl]-1-propan-2-yl-1,2,4-triazole

5-[(2-ethylpyrrolidin-2-yl)methyl]-1-propan-2-yl-1,2,4-triazole (PubChem CID 66466460) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 5-[(2-ethylpyrrolidin-2-yl)methyl]-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name5-[(2-ethylpyrrolidin-2-yl)methyl]-1-propan-2-yl-1,2,4-triazole
PubChem CID66466460
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name5-[(2-ethylpyrrolidin-2-yl)methyl]-1-propan-2-yl-1,2,4-triazole
SMILESCCC1(Cc2ncnn2C(C)C)CCCN1
InChIInChI=1S/C12H22N4/c1-4-12(6-5-7-14-12)8-11-13-9-15-16(11)10(2)3/h9-10,14H,4-8H2,1-3H3
InChIKeyJVDMEIXGXKPLCN-UHFFFAOYSA-N
XLogP1.93
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2-ethylpyrrolidin-2-yl)methyl]-1-propan-2-yl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 83080410
4-fluoro-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]azepane
CID 103983894
5-(2-methylpyrrolidin-2-yl)-1-propan-2-yl-1,2,4-triazole
CID 126978967
2-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylimidazole
CID 79760494
5-[[1-(chloromethyl)cyclobutyl]methyl]-1-propan-2-yl-1,2,4-triazole
CID 66036230
5-[[1-(bromomethyl)cyclopentyl]methyl]-1-propan-2-yl-1,2,4-triazole
CID 66049123
2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-propylazepane
CID 79117211
5-[(3-cyclopentylazetidin-3-yl)methyl]-1-propan-2-yl-1,2,4-triazole
CID 112571297
2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propylazepane
CID 79119255
3-ethyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 114510267
5-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole
CID 114554671
2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]thiolane-2-carboxylic acid
CID 83173952

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylpyrrolidin-2-yl)methyl]-1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 5-[(2-ethylpyrrolidin-2-yl)methyl]-1-propan-2-yl-1,2,4-triazole (CID 66466460) is 5-[(2-ethylpyrrolidin-2-yl)methyl]-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 5-[(2-ethylpyrrolidin-2-yl)methyl]-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 5-[(2-ethylpyrrolidin-2-yl)methyl]-1-propan-2-yl-1,2,4-triazole is CCC1(Cc2ncnn2C(C)C)CCCN1.
What is the InChIKey of 5-[(2-ethylpyrrolidin-2-yl)methyl]-1-propan-2-yl-1,2,4-triazole?
The InChIKey is JVDMEIXGXKPLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-12(6-5-7-14-12)8-11-13-9-15-16(11)10(2)3/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 5-[(2-ethylpyrrolidin-2-yl)methyl]-1-propan-2-yl-1,2,4-triazole?
5-[(2-ethylpyrrolidin-2-yl)methyl]-1-propan-2-yl-1,2,4-triazole has a molecular weight of 222.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylpyrrolidin-2-yl)methyl]-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 66466460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).