[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methanamine

C12H24N6 — CID 63621831

IUPAC[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methanamine
SMILESCCN1CCN(CCn2cc(CN)nn2)CC1C
InChIInChI=1S/C12H24N6/c1-3-17-6-4-16(9-11(17)2)5-7-18-10-12(8-13)14-15-18/h10-11H,3-9,13H2,1-2H3
InChIKeyMPWDBKKLIXKOHJ-UHFFFAOYSA-N
MW252.37 g/mol
LogP-0.24
Rot. Bonds5

About [1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methanamine

[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methanamine (PubChem CID 63621831) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is [1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methanamine
PubChem CID63621831
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methanamine
SMILESCCN1CCN(CCn2cc(CN)nn2)CC1C
InChIInChI=1S/C12H24N6/c1-3-17-6-4-16(9-11(17)2)5-7-18-10-12(8-13)14-15-18/h10-11H,3-9,13H2,1-2H3
InChIKeyMPWDBKKLIXKOHJ-UHFFFAOYSA-N
XLogP-0.24
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methanamine (CID 63621831) is [1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methanamine is CCN1CCN(CCn2cc(CN)nn2)CC1C.
What is the InChIKey of [1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methanamine?
The InChIKey is MPWDBKKLIXKOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-3-17-6-4-16(9-11(17)2)5-7-18-10-12(8-13)14-15-18/h10-11H,3-9,13H2,1-2H3.
What are the key properties of [1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methanamine?
[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methanamine has a molecular weight of 252.37 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 63621831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).