3-cyclopentyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

C16H22F3N5 — CID 97452761

IUPAC3-cyclopentyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCc1nccn1[C@@H](C)Cc1nc(C2CCCC2)nn1CC(F)(F)F
InChIInChI=1S/C16H22F3N5/c1-11(23-8-7-20-12(23)2)9-14-21-15(13-5-3-4-6-13)22-24(14)10-16(17,18)19/h7-8,11,13H,3-6,9-10H2,1-2H3/t11-/m0/s1
InChIKeyHKINDSOYZMJYQL-NSHDSACASA-N
MW341.38 g/mol
LogP3.81
Rot. Bonds5

About 3-cyclopentyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

3-cyclopentyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (PubChem CID 97452761) has the molecular formula C16H22F3N5 and a molecular weight of 341.38 g/mol. Its IUPAC name is 3-cyclopentyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopentyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
PubChem CID97452761
Molecular FormulaC16H22F3N5
Molecular Weight341.38 g/mol
Exact Mass341.18
IUPAC Name3-cyclopentyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCc1nccn1[C@@H](C)Cc1nc(C2CCCC2)nn1CC(F)(F)F
InChIInChI=1S/C16H22F3N5/c1-11(23-8-7-20-12(23)2)9-14-21-15(13-5-3-4-6-13)22-24(14)10-16(17,18)19/h7-8,11,13H,3-6,9-10H2,1-2H3/t11-/m0/s1
InChIKeyHKINDSOYZMJYQL-NSHDSACASA-N
XLogP3.81
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyclopentyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-(2,2,2-trifluoroethyl)-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

CID 71928295
CID 71928295
CID 72866892
CID 72866892
CID 72885805
CID 72885805
CID 72905756
CID 72905756
CID 72912276
CID 72912276
CID 97460152
CID 97460152
CID 72927968
CID 72927968
CID 72839206
CID 72839206
CID 97452482
CID 97452482
CID 164630149
CID 164630149
CID 164639919
CID 164639919
CID 149724361
CID 149724361

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The IUPAC name of 3-cyclopentyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (CID 97452761) is 3-cyclopentyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 3-cyclopentyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The canonical SMILES for 3-cyclopentyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is Cc1nccn1[C@@H](C)Cc1nc(C2CCCC2)nn1CC(F)(F)F.
What is the InChIKey of 3-cyclopentyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The InChIKey is HKINDSOYZMJYQL-NSHDSACASA-N. The full InChI is InChI=1S/C16H22F3N5/c1-11(23-8-7-20-12(23)2)9-14-21-15(13-5-3-4-6-13)22-24(14)10-16(17,18)19/h7-8,11,13H,3-6,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 3-cyclopentyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
3-cyclopentyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole has a molecular weight of 341.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 97452761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).