1-(4-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide

C15H19FN4O2 — CID 94031179

IUPAC1-(4-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide
SMILESCOC[C@H](C)N(C)C(=O)c1nc(C)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN4O2/c1-10(9-22-4)19(3)15(21)14-17-11(2)20(18-14)13-7-5-12(16)6-8-13/h5-8,10H,9H2,1-4H3/t10-/m0/s1
InChIKeyCTXMJEXAVYTXBB-JTQLQIEISA-N
MW306.34 g/mol
LogP1.82
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide

1-(4-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide (PubChem CID 94031179) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide
PubChem CID94031179
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name1-(4-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide
SMILESCOC[C@H](C)N(C)C(=O)c1nc(C)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN4O2/c1-10(9-22-4)19(3)15(21)14-17-11(2)20(18-14)13-7-5-12(16)6-8-13/h5-8,10H,9H2,1-4H3/t10-/m0/s1
InChIKeyCTXMJEXAVYTXBB-JTQLQIEISA-N
XLogP1.82
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide 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 1-(4-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide (CID 94031179) is 1-(4-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide is COC[C@H](C)N(C)C(=O)c1nc(C)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide?
The InChIKey is CTXMJEXAVYTXBB-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-10(9-22-4)19(3)15(21)14-17-11(2)20(18-14)13-7-5-12(16)6-8-13/h5-8,10H,9H2,1-4H3/t10-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide?
1-(4-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 94031179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).