1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-amine

C16H24N6 — CID 76683881

IUPAC1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-amine
SMILESCN1CCN(CCNc2cn(Cc3ccccc3)nn2)CC1
InChIInChI=1S/C16H24N6/c1-20-9-11-21(12-10-20)8-7-17-16-14-22(19-18-16)13-15-5-3-2-4-6-15/h2-6,14,17H,7-13H2,1H3
InChIKeyGQUXHKZBZCDRSP-UHFFFAOYSA-N
MW300.41 g/mol
LogP0.99
Rot. Bonds6

About 1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-amine

1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-amine (PubChem CID 76683881) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-amine
PubChem CID76683881
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-amine
SMILESCN1CCN(CCNc2cn(Cc3ccccc3)nn2)CC1
InChIInChI=1S/C16H24N6/c1-20-9-11-21(12-10-20)8-7-17-16-14-22(19-18-16)13-15-5-3-2-4-6-15/h2-6,14,17H,7-13H2,1H3
InChIKeyGQUXHKZBZCDRSP-UHFFFAOYSA-N
XLogP0.99
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-amine?
The IUPAC name of 1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-amine (CID 76683881) is 1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-amine.
What is the SMILES notation for 1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-amine?
The canonical SMILES for 1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-amine is CN1CCN(CCNc2cn(Cc3ccccc3)nn2)CC1.
What is the InChIKey of 1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-amine?
The InChIKey is GQUXHKZBZCDRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-20-9-11-21(12-10-20)8-7-17-16-14-22(19-18-16)13-15-5-3-2-4-6-15/h2-6,14,17H,7-13H2,1H3.
What are the key properties of 1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-amine?
1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-amine has a molecular weight of 300.41 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-amine is sourced from PubChem (CID 76683881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).