1-[5-[methoxy(phenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine

C15H21N5O — CID 102798189

IUPAC1-[5-[methoxy(phenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
SMILESCOC(c1ccccc1)c1nc(N2CCNC(C)C2)n[nH]1
InChIInChI=1S/C15H21N5O/c1-11-10-20(9-8-16-11)15-17-14(18-19-15)13(21-2)12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,17,18,19)
InChIKeyJTQRPLWIGMVIRJ-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.34
Rot. Bonds4

About 1-[5-[methoxy(phenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine

1-[5-[methoxy(phenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine (PubChem CID 102798189) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[5-[methoxy(phenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[5-[methoxy(phenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
PubChem CID102798189
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-[5-[methoxy(phenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
SMILESCOC(c1ccccc1)c1nc(N2CCNC(C)C2)n[nH]1
InChIInChI=1S/C15H21N5O/c1-11-10-20(9-8-16-11)15-17-14(18-19-15)13(21-2)12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,17,18,19)
InChIKeyJTQRPLWIGMVIRJ-UHFFFAOYSA-N
XLogP1.34
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[methoxy(phenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine?
The IUPAC name of 1-[5-[methoxy(phenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine (CID 102798189) is 1-[5-[methoxy(phenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine.
What is the SMILES notation for 1-[5-[methoxy(phenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine?
The canonical SMILES for 1-[5-[methoxy(phenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine is COC(c1ccccc1)c1nc(N2CCNC(C)C2)n[nH]1.
What is the InChIKey of 1-[5-[methoxy(phenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine?
The InChIKey is JTQRPLWIGMVIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-10-20(9-8-16-11)15-17-14(18-19-15)13(21-2)12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,17,18,19).
What are the key properties of 1-[5-[methoxy(phenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine?
1-[5-[methoxy(phenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine has a molecular weight of 287.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[methoxy(phenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine is sourced from PubChem (CID 102798189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).