1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperazine

C8H15N5 — CID 156839759

IUPAC1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperazine
SMILESCN1CCN(c2ncn(C)n2)CC1
InChIInChI=1S/C8H15N5/c1-11-3-5-13(6-4-11)8-9-7-12(2)10-8/h7H,3-6H2,1-2H3
InChIKeyUSZDSJRITCVGGK-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.43
Rot. Bonds1

About 1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperazine

1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperazine (PubChem CID 156839759) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperazine
PubChem CID156839759
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperazine
SMILESCN1CCN(c2ncn(C)n2)CC1
InChIInChI=1S/C8H15N5/c1-11-3-5-13(6-4-11)8-9-7-12(2)10-8/h7H,3-6H2,1-2H3
InChIKeyUSZDSJRITCVGGK-UHFFFAOYSA-N
XLogP-0.43
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762
1-methyl-3-[(3R)-3-methylpyrrolidin-1-yl]-1,2,4-triazole
CID 141381942
5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 171333757
1-methyl-4-pyrimidin-2-yl-1,4-diazepane;dihydrochloride
CID 122160375
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 22152276
1-(1,3-dimethylpyrazol-4-yl)-4-methylpiperazine
CID 174436389
4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 44613516
N,N-diethyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302072
2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 59493796
2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107543268
1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109302025

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperazine?
The IUPAC name of 1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperazine (CID 156839759) is 1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperazine?
The canonical SMILES for 1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperazine is CN1CCN(c2ncn(C)n2)CC1.
What is the InChIKey of 1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperazine?
The InChIKey is USZDSJRITCVGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-11-3-5-13(6-4-11)8-9-7-12(2)10-8/h7H,3-6H2,1-2H3.
What are the key properties of 1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperazine?
1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperazine has a molecular weight of 181.24 g/mol, XLogP of -0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperazine is sourced from PubChem (CID 156839759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).