2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C13H17F3N4O — CID 132970846

IUPAC2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)Cn1nc(C2CC2)nc1C1CC1
InChIInChI=1S/C13H17F3N4O/c1-19(7-13(14,15)16)10(21)6-20-12(9-4-5-9)17-11(18-20)8-2-3-8/h8-9H,2-7H2,1H3
InChIKeyLHYDPTYTEUJLEE-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.05
Rot. Bonds5

About 2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 132970846) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID132970846
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)Cn1nc(C2CC2)nc1C1CC1
InChIInChI=1S/C13H17F3N4O/c1-19(7-13(14,15)16)10(21)6-20-12(9-4-5-9)17-11(18-20)8-2-3-8/h8-9H,2-7H2,1H3
InChIKeyLHYDPTYTEUJLEE-UHFFFAOYSA-N
XLogP2.05
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide 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-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 71974203
2-(3,5-diethyl-1,2,4-triazol-1-yl)-N,N-diethylacetamide
CID 71974205
N-{[3-cyclopropyl-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]methyl}acetamide
CID 72920556
N-(cyclopropylmethyl)-2-(3-cyclopropyl-1,2,4-triazol-1-yl)acetamide
CID 128432933
2-(5-cyclopropyltetrazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 136574259
5-(2,2-Difluorocyclopropyl)-2-methyl-1,2,4-triazole-3-carboxamide
CID 175864609
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 75386178
N-butyl-5-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3-carboxamide
CID 80380007
5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3-carboxamide
CID 80380019
N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-2-methylpropanamide
CID 91660794
(2S)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237737
(2R)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237738

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 132970846) is 2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)Cn1nc(C2CC2)nc1C1CC1.
What is the InChIKey of 2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LHYDPTYTEUJLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-19(7-13(14,15)16)10(21)6-20-12(9-4-5-9)17-11(18-20)8-2-3-8/h8-9H,2-7H2,1H3.
What are the key properties of 2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 302.30 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 132970846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).