1-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)amino]triazol-4-yl]ethanone

C16H14FN5O2 — CID 23606519

IUPAC1-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)amino]triazol-4-yl]ethanone
SMILESCOc1ccc(Nc2nn(-c3ccc(F)cc3)nc2C(C)=O)cn1
InChIInChI=1S/C16H14FN5O2/c1-10(23)15-16(19-12-5-8-14(24-2)18-9-12)21-22(20-15)13-6-3-11(17)4-7-13/h3-9H,1-2H3,(H,19,21)
InChIKeyQZRQDHHSFDKPJS-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.76
Rot. Bonds5

About 1-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)amino]triazol-4-yl]ethanone

1-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)amino]triazol-4-yl]ethanone (PubChem CID 23606519) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)amino]triazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)amino]triazol-4-yl]ethanone
PubChem CID23606519
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC Name1-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)amino]triazol-4-yl]ethanone
SMILESCOc1ccc(Nc2nn(-c3ccc(F)cc3)nc2C(C)=O)cn1
InChIInChI=1S/C16H14FN5O2/c1-10(23)15-16(19-12-5-8-14(24-2)18-9-12)21-22(20-15)13-6-3-11(17)4-7-13/h3-9H,1-2H3,(H,19,21)
InChIKeyQZRQDHHSFDKPJS-UHFFFAOYSA-N
XLogP2.76
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)amino]triazol-4-yl]ethanone 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

1-[2-(4-chlorophenyl)-5-(quinolin-3-ylamino)triazol-4-yl]ethanone
CID 23606510
5-cyclopropyl-1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)triazole-4-carboxamide
CID 71881070
1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 3582348
3-[(6-methoxy-3-pyridinyl)amino]-1-methylpyrazin-2-one
CID 134160490
[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 23110200
2-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 51291677
4-imidazol-1-yl-N-(6-methoxy-3-pyridinyl)benzamide
CID 31532934
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 51324930
5-chloro-1-[(4-fluorophenyl)methyl]-N-(6-methoxy-3-pyridinyl)-3-methylpyrazole-4-carboxamide
CID 26018248
methyl 5-amino-2-[(6-methoxy-3-pyridinyl)amino]benzoate
CID 61306530
2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80571966
N,N-diethyl-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 43114034

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)amino]triazol-4-yl]ethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)amino]triazol-4-yl]ethanone (CID 23606519) is 1-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)amino]triazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)amino]triazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)amino]triazol-4-yl]ethanone is COc1ccc(Nc2nn(-c3ccc(F)cc3)nc2C(C)=O)cn1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)amino]triazol-4-yl]ethanone?
The InChIKey is QZRQDHHSFDKPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c1-10(23)15-16(19-12-5-8-14(24-2)18-9-12)21-22(20-15)13-6-3-11(17)4-7-13/h3-9H,1-2H3,(H,19,21).
What are the key properties of 1-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)amino]triazol-4-yl]ethanone?
1-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)amino]triazol-4-yl]ethanone has a molecular weight of 327.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)amino]triazol-4-yl]ethanone is sourced from PubChem (CID 23606519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).