N-(2-fluoro-5-methylphenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide

C15H19FN6O — CID 91837123

IUPACN-(2-fluoro-5-methylphenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide
SMILESCc1ccc(F)c(NC(=O)CN2CCN(c3ncn[nH]3)CC2)c1
InChIInChI=1S/C15H19FN6O/c1-11-2-3-12(16)13(8-11)19-14(23)9-21-4-6-22(7-5-21)15-17-10-18-20-15/h2-3,8,10H,4-7,9H2,1H3,(H,19,23)(H,17,18,20)
InChIKeyXSQIYCCXXMPDGZ-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.01
Rot. Bonds4

About N-(2-fluoro-5-methylphenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide

N-(2-fluoro-5-methylphenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide (PubChem CID 91837123) has the molecular formula C15H19FN6O and a molecular weight of 318.36 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide
PubChem CID91837123
Molecular FormulaC15H19FN6O
Molecular Weight318.36 g/mol
Exact Mass318.16
IUPAC NameN-(2-fluoro-5-methylphenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide
SMILESCc1ccc(F)c(NC(=O)CN2CCN(c3ncn[nH]3)CC2)c1
InChIInChI=1S/C15H19FN6O/c1-11-2-3-12(16)13(8-11)19-14(23)9-21-4-6-22(7-5-21)15-17-10-18-20-15/h2-3,8,10H,4-7,9H2,1H3,(H,19,23)(H,17,18,20)
InChIKeyXSQIYCCXXMPDGZ-UHFFFAOYSA-N
XLogP1.01
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 1448805
N-(2-fluoro-4-methylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8691168
N-[(4-acetamidophenyl)methyl]-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide
CID 91843310
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 8896475
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 22195458
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9390252
N-(2,5-dimethylphenyl)-2-(4-fluoropiperidin-1-yl)acetamide
CID 171701345
N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196969
N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8530050
2-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 124753533
N-(2,5-dimethylphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
CID 171998269

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide (CID 91837123) is N-(2-fluoro-5-methylphenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide is Cc1ccc(F)c(NC(=O)CN2CCN(c3ncn[nH]3)CC2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide?
The InChIKey is XSQIYCCXXMPDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O/c1-11-2-3-12(16)13(8-11)19-14(23)9-21-4-6-22(7-5-21)15-17-10-18-20-15/h2-3,8,10H,4-7,9H2,1H3,(H,19,23)(H,17,18,20).
What are the key properties of N-(2-fluoro-5-methylphenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide?
N-(2-fluoro-5-methylphenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide has a molecular weight of 318.36 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 91837123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).