1-[4-[[2-[(3-methyltriazol-4-yl)methylamino]phenyl]methyl]piperazin-1-yl]ethanone

C17H24N6O — CID 139003970

IUPAC1-[4-[[2-[(3-methyltriazol-4-yl)methylamino]phenyl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccccc2NCc2cnnn2C)CC1
InChIInChI=1S/C17H24N6O/c1-14(24)23-9-7-22(8-10-23)13-15-5-3-4-6-17(15)18-11-16-12-19-20-21(16)2/h3-6,12,18H,7-11,13H2,1-2H3
InChIKeyKNIDGOZUYCIXJV-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.09
Rot. Bonds5

About 1-[4-[[2-[(3-methyltriazol-4-yl)methylamino]phenyl]methyl]piperazin-1-yl]ethanone

1-[4-[[2-[(3-methyltriazol-4-yl)methylamino]phenyl]methyl]piperazin-1-yl]ethanone (PubChem CID 139003970) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[4-[[2-[(3-methyltriazol-4-yl)methylamino]phenyl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-[(3-methyltriazol-4-yl)methylamino]phenyl]methyl]piperazin-1-yl]ethanone
PubChem CID139003970
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-[4-[[2-[(3-methyltriazol-4-yl)methylamino]phenyl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccccc2NCc2cnnn2C)CC1
InChIInChI=1S/C17H24N6O/c1-14(24)23-9-7-22(8-10-23)13-15-5-3-4-6-17(15)18-11-16-12-19-20-21(16)2/h3-6,12,18H,7-11,13H2,1-2H3
InChIKeyKNIDGOZUYCIXJV-UHFFFAOYSA-N
XLogP1.09
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-[(3-methyltriazol-4-yl)methylamino]phenyl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[2-[(3-methyltriazol-4-yl)methylamino]phenyl]methyl]piperazin-1-yl]ethanone (CID 139003970) is 1-[4-[[2-[(3-methyltriazol-4-yl)methylamino]phenyl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-[(3-methyltriazol-4-yl)methylamino]phenyl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2-[(3-methyltriazol-4-yl)methylamino]phenyl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2ccccc2NCc2cnnn2C)CC1.
What is the InChIKey of 1-[4-[[2-[(3-methyltriazol-4-yl)methylamino]phenyl]methyl]piperazin-1-yl]ethanone?
The InChIKey is KNIDGOZUYCIXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-14(24)23-9-7-22(8-10-23)13-15-5-3-4-6-17(15)18-11-16-12-19-20-21(16)2/h3-6,12,18H,7-11,13H2,1-2H3.
What are the key properties of 1-[4-[[2-[(3-methyltriazol-4-yl)methylamino]phenyl]methyl]piperazin-1-yl]ethanone?
1-[4-[[2-[(3-methyltriazol-4-yl)methylamino]phenyl]methyl]piperazin-1-yl]ethanone has a molecular weight of 328.42 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-[(3-methyltriazol-4-yl)methylamino]phenyl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 139003970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).