1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one

C16H21FN6O — CID 146043390

IUPAC1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
SMILESCC1CN(C(=O)CCCn2cncn2)CCN1c1ccc(F)cn1
InChIInChI=1S/C16H21FN6O/c1-13-10-21(16(24)3-2-6-22-12-18-11-20-22)7-8-23(13)15-5-4-14(17)9-19-15/h4-5,9,11-13H,2-3,6-8,10H2,1H3
InChIKeyHLFLOJINFKPOPJ-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.33
Rot. Bonds5

About 1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one

1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one (PubChem CID 146043390) has the molecular formula C16H21FN6O and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one.

Molecular Properties

Compound Name1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
PubChem CID146043390
Molecular FormulaC16H21FN6O
Molecular Weight332.38 g/mol
Exact Mass332.18
IUPAC Name1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
SMILESCC1CN(C(=O)CCCn2cncn2)CCN1c1ccc(F)cn1
InChIInChI=1S/C16H21FN6O/c1-13-10-21(16(24)3-2-6-22-12-18-11-20-22)7-8-23(13)15-5-4-14(17)9-19-15/h4-5,9,11-13H,2-3,6-8,10H2,1H3
InChIKeyHLFLOJINFKPOPJ-UHFFFAOYSA-N
XLogP1.33
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one 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-(3-methyl-4-phenylpiperazin-1-yl)-4-(1,2,4-triazol-1-yl)butan-1-one
CID 136567714
2-(4-chlorophenoxy)-1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]ethanone
CID 146045286
3-(1H-benzimidazol-2-yl)-1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]propan-1-one
CID 154568485
7-[4-(1,2,4-triazol-1-yl)butanoyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 131915341
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 111109335
1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 166616138
[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone
CID 146041511
[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 146043710
3-fluoro-N-[(3R,4R)-4-hydroxy-1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-3-yl]-5-methylbenzamide
CID 146038134
1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 110899775
1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 70734448
1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 70760398

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one?
The IUPAC name of 1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one (CID 146043390) is 1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one.
What is the SMILES notation for 1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one?
The canonical SMILES for 1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one is CC1CN(C(=O)CCCn2cncn2)CCN1c1ccc(F)cn1.
What is the InChIKey of 1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one?
The InChIKey is HLFLOJINFKPOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN6O/c1-13-10-21(16(24)3-2-6-22-12-18-11-20-22)7-8-23(13)15-5-4-14(17)9-19-15/h4-5,9,11-13H,2-3,6-8,10H2,1H3.
What are the key properties of 1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one?
1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one has a molecular weight of 332.38 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one is sourced from PubChem (CID 146043390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).