2-(4-methylpiperazin-1-yl)-N-[(1-methyltriazol-4-yl)methyl]acetamide

C11H20N6O — CID 118390202

IUPAC2-(4-methylpiperazin-1-yl)-N-[(1-methyltriazol-4-yl)methyl]acetamide
SMILESCN1CCN(CC(=O)NCc2cn(C)nn2)CC1
InChIInChI=1S/C11H20N6O/c1-15-3-5-17(6-4-15)9-11(18)12-7-10-8-16(2)14-13-10/h8H,3-7,9H2,1-2H3,(H,12,18)
InChIKeyFCWKIUIEVRHMLG-UHFFFAOYSA-N
MW252.32 g/mol
LogP-1.32
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-N-[(1-methyltriazol-4-yl)methyl]acetamide

2-(4-methylpiperazin-1-yl)-N-[(1-methyltriazol-4-yl)methyl]acetamide (PubChem CID 118390202) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[(1-methyltriazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[(1-methyltriazol-4-yl)methyl]acetamide
PubChem CID118390202
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[(1-methyltriazol-4-yl)methyl]acetamide
SMILESCN1CCN(CC(=O)NCc2cn(C)nn2)CC1
InChIInChI=1S/C11H20N6O/c1-15-3-5-17(6-4-15)9-11(18)12-7-10-8-16(2)14-13-10/h8H,3-7,9H2,1-2H3,(H,12,18)
InChIKeyFCWKIUIEVRHMLG-UHFFFAOYSA-N
XLogP-1.32
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(1-methyltriazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(1-methyltriazol-4-yl)methyl]acetamide (CID 118390202) is 2-(4-methylpiperazin-1-yl)-N-[(1-methyltriazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[(1-methyltriazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[(1-methyltriazol-4-yl)methyl]acetamide is CN1CCN(CC(=O)NCc2cn(C)nn2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[(1-methyltriazol-4-yl)methyl]acetamide?
The InChIKey is FCWKIUIEVRHMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-15-3-5-17(6-4-15)9-11(18)12-7-10-8-16(2)14-13-10/h8H,3-7,9H2,1-2H3,(H,12,18).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[(1-methyltriazol-4-yl)methyl]acetamide?
2-(4-methylpiperazin-1-yl)-N-[(1-methyltriazol-4-yl)methyl]acetamide has a molecular weight of 252.32 g/mol, XLogP of -1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[(1-methyltriazol-4-yl)methyl]acetamide is sourced from PubChem (CID 118390202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).