3-[[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole

C17H21N7O — CID 128982123

IUPAC3-[[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole
SMILESCO[C@@H]1C[C@@H](c2nncn2C)N(Cc2ncn(-c3ccccc3)n2)C1
InChIInChI=1S/C17H21N7O/c1-22-12-19-20-17(22)15-8-14(25-2)9-23(15)10-16-18-11-24(21-16)13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10H2,1-2H3/t14-,15+/m1/s1
InChIKeyVQRFLNZYLFBRNI-CABCVRRESA-N
MW339.40 g/mol
LogP1.36
Rot. Bonds5

About 3-[[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole

3-[[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole (PubChem CID 128982123) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole
PubChem CID128982123
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name3-[[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole
SMILESCO[C@@H]1C[C@@H](c2nncn2C)N(Cc2ncn(-c3ccccc3)n2)C1
InChIInChI=1S/C17H21N7O/c1-22-12-19-20-17(22)15-8-14(25-2)9-23(15)10-16-18-11-24(21-16)13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10H2,1-2H3/t14-,15+/m1/s1
InChIKeyVQRFLNZYLFBRNI-CABCVRRESA-N
XLogP1.36
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1-phenyl-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

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole?
The IUPAC name of 3-[[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole (CID 128982123) is 3-[[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-[[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole?
The canonical SMILES for 3-[[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole is CO[C@@H]1C[C@@H](c2nncn2C)N(Cc2ncn(-c3ccccc3)n2)C1.
What is the InChIKey of 3-[[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole?
The InChIKey is VQRFLNZYLFBRNI-CABCVRRESA-N. The full InChI is InChI=1S/C17H21N7O/c1-22-12-19-20-17(22)15-8-14(25-2)9-23(15)10-16-18-11-24(21-16)13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of 3-[[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole?
3-[[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole has a molecular weight of 339.40 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole is sourced from PubChem (CID 128982123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).