1-[5-(1,4-dimethylpiperazin-2-yl)-1H-1,2,4-triazol-3-yl]ethanamine

C10H20N6 — CID 79667311

IUPAC1-[5-(1,4-dimethylpiperazin-2-yl)-1H-1,2,4-triazol-3-yl]ethanamine
SMILESCC(N)c1n[nH]c(C2CN(C)CCN2C)n1
InChIInChI=1S/C10H20N6/c1-7(11)9-12-10(14-13-9)8-6-15(2)4-5-16(8)3/h7-8H,4-6,11H2,1-3H3,(H,12,13,14)
InChIKeyDJZOREMRCPSCSE-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.26
Rot. Bonds2

About 1-[5-(1,4-dimethylpiperazin-2-yl)-1H-1,2,4-triazol-3-yl]ethanamine

1-[5-(1,4-dimethylpiperazin-2-yl)-1H-1,2,4-triazol-3-yl]ethanamine (PubChem CID 79667311) has the molecular formula C10H20N6 and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[5-(1,4-dimethylpiperazin-2-yl)-1H-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(1,4-dimethylpiperazin-2-yl)-1H-1,2,4-triazol-3-yl]ethanamine
PubChem CID79667311
Molecular FormulaC10H20N6
Molecular Weight224.31 g/mol
Exact Mass224.17
IUPAC Name1-[5-(1,4-dimethylpiperazin-2-yl)-1H-1,2,4-triazol-3-yl]ethanamine
SMILESCC(N)c1n[nH]c(C2CN(C)CCN2C)n1
InChIInChI=1S/C10H20N6/c1-7(11)9-12-10(14-13-9)8-6-15(2)4-5-16(8)3/h7-8H,4-6,11H2,1-3H3,(H,12,13,14)
InChIKeyDJZOREMRCPSCSE-UHFFFAOYSA-N
XLogP-0.26
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,4-dimethylpiperazin-2-yl)-1H-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(1,4-dimethylpiperazin-2-yl)-1H-1,2,4-triazol-3-yl]ethanamine (CID 79667311) is 1-[5-(1,4-dimethylpiperazin-2-yl)-1H-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(1,4-dimethylpiperazin-2-yl)-1H-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(1,4-dimethylpiperazin-2-yl)-1H-1,2,4-triazol-3-yl]ethanamine is CC(N)c1n[nH]c(C2CN(C)CCN2C)n1.
What is the InChIKey of 1-[5-(1,4-dimethylpiperazin-2-yl)-1H-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is DJZOREMRCPSCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6/c1-7(11)9-12-10(14-13-9)8-6-15(2)4-5-16(8)3/h7-8H,4-6,11H2,1-3H3,(H,12,13,14).
What are the key properties of 1-[5-(1,4-dimethylpiperazin-2-yl)-1H-1,2,4-triazol-3-yl]ethanamine?
1-[5-(1,4-dimethylpiperazin-2-yl)-1H-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 224.31 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,4-dimethylpiperazin-2-yl)-1H-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 79667311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).