1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]piperazine

C14H19N5 — CID 82483118

IUPAC1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]piperazine
SMILESCc1nc(-c2ccc(N3CCNCC3)cc2)n(C)n1
InChIInChI=1S/C14H19N5/c1-11-16-14(18(2)17-11)12-3-5-13(6-4-12)19-9-7-15-8-10-19/h3-6,15H,7-10H2,1-2H3
InChIKeyVRNANFNYZPLUMJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.20
Rot. Bonds2

About 1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]piperazine

1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]piperazine (PubChem CID 82483118) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]piperazine.

Molecular Properties

Compound Name1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]piperazine
PubChem CID82483118
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]piperazine
SMILESCc1nc(-c2ccc(N3CCNCC3)cc2)n(C)n1
InChIInChI=1S/C14H19N5/c1-11-16-14(18(2)17-11)12-3-5-13(6-4-12)19-9-7-15-8-10-19/h3-6,15H,7-10H2,1-2H3
InChIKeyVRNANFNYZPLUMJ-UHFFFAOYSA-N
XLogP1.20
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-6-(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 82487984
2,4,6-tris(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 146566089
2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine
CID 82487680
4-methyl-2-(4-piperazin-1-ylphenyl)-1,3-oxazole
CID 82478157
1-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]piperazine
CID 82513477
2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole
CID 58985190
5-methyl-3-(4-piperazin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 69036653
1-bromo-4-methylbenzene;1-(4-methylphenyl)piperazine
CID 161139081
4-(4-piperazin-1-ylphenyl)benzenesulfonyl chloride
CID 121464193
2-methyl-6-piperazin-1-yl-1H-benzimidazole
CID 20580687
6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one
CID 96667655
[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methanamine
CID 62696261

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]piperazine?
The IUPAC name of 1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]piperazine (CID 82483118) is 1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]piperazine.
What is the SMILES notation for 1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]piperazine?
The canonical SMILES for 1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]piperazine is Cc1nc(-c2ccc(N3CCNCC3)cc2)n(C)n1.
What is the InChIKey of 1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]piperazine?
The InChIKey is VRNANFNYZPLUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-11-16-14(18(2)17-11)12-3-5-13(6-4-12)19-9-7-15-8-10-19/h3-6,15H,7-10H2,1-2H3.
What are the key properties of 1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]piperazine?
1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]piperazine has a molecular weight of 257.34 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]piperazine is sourced from PubChem (CID 82483118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).