1-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone

C17H22N4O2 — CID 75505823

IUPAC1-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)C)cc1OCc1nnc(C)n1C1CC1
InChIInChI=1S/C17H22N4O2/c1-11(22)15-8-7-14(20(3)4)9-16(15)23-10-17-19-18-12(2)21(17)13-5-6-13/h7-9,13H,5-6,10H2,1-4H3
InChIKeyQMLTXVJDVXFGAV-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.77
Rot. Bonds6

About 1-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone

1-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone (PubChem CID 75505823) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone
PubChem CID75505823
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)C)cc1OCc1nnc(C)n1C1CC1
InChIInChI=1S/C17H22N4O2/c1-11(22)15-8-7-14(20(3)4)9-16(15)23-10-17-19-18-12(2)21(17)13-5-6-13/h7-9,13H,5-6,10H2,1-4H3
InChIKeyQMLTXVJDVXFGAV-UHFFFAOYSA-N
XLogP2.77
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone 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-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone?
The IUPAC name of 1-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone (CID 75505823) is 1-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone?
The canonical SMILES for 1-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone is CC(=O)c1ccc(N(C)C)cc1OCc1nnc(C)n1C1CC1.
What is the InChIKey of 1-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone?
The InChIKey is QMLTXVJDVXFGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(22)15-8-7-14(20(3)4)9-16(15)23-10-17-19-18-12(2)21(17)13-5-6-13/h7-9,13H,5-6,10H2,1-4H3.
What are the key properties of 1-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone?
1-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone has a molecular weight of 314.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methoxy]-4-(dimethylamino)phenyl]ethanone is sourced from PubChem (CID 75505823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).