1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine

C13H17N5O — CID 59511192

IUPAC1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine
SMILESCOc1nc(N2CCNCC2)n(-c2ccccc2)n1
InChIInChI=1S/C13H17N5O/c1-19-12-15-13(17-9-7-14-8-10-17)18(16-12)11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKeyPDOCTTGOMNABKP-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.69
Rot. Bonds3

About 1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine

1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine (PubChem CID 59511192) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine.

Molecular Properties

Compound Name1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine
PubChem CID59511192
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine
SMILESCOc1nc(N2CCNCC2)n(-c2ccccc2)n1
InChIInChI=1S/C13H17N5O/c1-19-12-15-13(17-9-7-14-8-10-17)18(16-12)11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKeyPDOCTTGOMNABKP-UHFFFAOYSA-N
XLogP0.69
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-2-phenyl-1,2,4-triazol-3-amine
CID 79873453
ethane;molecular hydrogen;1-phenylpiperazine
CID 144544571
7-methoxy-1-methyl-2-piperazin-1-ylbenzimidazole
CID 84632352
1-(3-phenyltriazol-4-yl)piperazine
CID 59511215
1-phenyl-4-piperazin-1-yl-6-propan-2-ylpyrazolo[5,4-d]pyrimidine
CID 42671771
1-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperazine
CID 23014217
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
CID 7047760
1-(5-ethyl-1-phenylpyrazol-4-yl)piperazine
CID 117210557
aniline;1-phenylpiperazine
CID 175572624
1-(3,5-dimethoxyphenyl)piperazine
CID 2736205
6-tert-butyl-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 42805374

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine?
The IUPAC name of 1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine (CID 59511192) is 1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine.
What is the SMILES notation for 1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine?
The canonical SMILES for 1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine is COc1nc(N2CCNCC2)n(-c2ccccc2)n1.
What is the InChIKey of 1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine?
The InChIKey is PDOCTTGOMNABKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-19-12-15-13(17-9-7-14-8-10-17)18(16-12)11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3.
What are the key properties of 1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine?
1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine has a molecular weight of 259.31 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine is sourced from PubChem (CID 59511192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).