3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine

C14H20N6 — CID 1485884

IUPAC3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
SMILESCc1cccc(C)c1N1CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C14H20N6/c1-10-4-3-5-11(2)12(10)19-6-8-20(9-7-19)14-16-13(15)17-18-14/h3-5H,6-9H2,1-2H3,(H3,15,16,17,18)
InChIKeyMPLRCVIYXSFLIJ-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.33
Rot. Bonds2

About 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine

3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine (PubChem CID 1485884) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
PubChem CID1485884
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
SMILESCc1cccc(C)c1N1CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C14H20N6/c1-10-4-3-5-11(2)12(10)19-6-8-20(9-7-19)14-16-13(15)17-18-14/h3-5H,6-9H2,1-2H3,(H3,15,16,17,18)
InChIKeyMPLRCVIYXSFLIJ-UHFFFAOYSA-N
XLogP1.33
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Phenyl-1-piperazinyl)-1H-1,2,4-triazol-3-amine
CID 2764704
5-(4-benzylpiperazino)-1H-1,2,4-triazol-3-ylamine
CID 1485849
3-[4-(4-fluorophenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 2764705
3-{4-[(4-Methylphenyl)methyl]piperazin-1-yl}-1H-1,2,4-triazol-5-amine
CID 13267632
3-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 13267638
3-{4-[(4-Aminophenyl)methyl]piperazin-1-yl}-1H-1,2,4-triazol-5-amine
CID 13267644
3-{4-[(3-Methylphenyl)methyl]piperazin-1-yl}-1H-1,2,4-triazol-5-amine
CID 13267648
3-{4-[(4-Butylphenyl)methyl]piperazin-1-yl}-1H-1,2,4-triazol-5-amine
CID 13267650
3-{4-[(2-Nitrophenyl)methyl]piperazin-1-yl}-1H-1,2,4-triazol-5-amine
CID 13267653
3-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 14450381
3-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 14450383
3-[4-(1-phenylethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 14450389

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine (CID 1485884) is 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine is Cc1cccc(C)c1N1CCN(c2n[nH]c(N)n2)CC1.
What is the InChIKey of 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
The InChIKey is MPLRCVIYXSFLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-10-4-3-5-11(2)12(10)19-6-8-20(9-7-19)14-16-13(15)17-18-14/h3-5H,6-9H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine has a molecular weight of 272.36 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 1485884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).