1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3,5-dimethylpiperazine

C15H27N5 — CID 102797265

IUPAC1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3,5-dimethylpiperazine
SMILESCC1CN(c2n[nH]c(C3CCCCCC3)n2)CC(C)N1
InChIInChI=1S/C15H27N5/c1-11-9-20(10-12(2)16-11)15-17-14(18-19-15)13-7-5-3-4-6-8-13/h11-13,16H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyRPVLCJITGCVCHV-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.43
Rot. Bonds2

About 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3,5-dimethylpiperazine

1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3,5-dimethylpiperazine (PubChem CID 102797265) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3,5-dimethylpiperazine
PubChem CID102797265
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3,5-dimethylpiperazine
SMILESCC1CN(c2n[nH]c(C3CCCCCC3)n2)CC(C)N1
InChIInChI=1S/C15H27N5/c1-11-9-20(10-12(2)16-11)15-17-14(18-19-15)13-7-5-3-4-6-8-13/h11-13,16H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyRPVLCJITGCVCHV-UHFFFAOYSA-N
XLogP2.43
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797916
3,5-dimethyl-1-[5-(thian-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797418
3,5-dimethyl-1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797289
1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798989
1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798873
6-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102793592
1-[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]ethanamine
CID 102799146
2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]pyrimidine
CID 167968344
[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine
CID 102800850
1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-2-methylpiperidin-3-amine
CID 102798588
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798903
1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797426

Frequently Asked Questions

What is the IUPAC name of 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3,5-dimethylpiperazine?
The IUPAC name of 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3,5-dimethylpiperazine (CID 102797265) is 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3,5-dimethylpiperazine.
What is the SMILES notation for 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3,5-dimethylpiperazine?
The canonical SMILES for 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3,5-dimethylpiperazine is CC1CN(c2n[nH]c(C3CCCCCC3)n2)CC(C)N1.
What is the InChIKey of 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3,5-dimethylpiperazine?
The InChIKey is RPVLCJITGCVCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-11-9-20(10-12(2)16-11)15-17-14(18-19-15)13-7-5-3-4-6-8-13/h11-13,16H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3,5-dimethylpiperazine?
1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3,5-dimethylpiperazine has a molecular weight of 277.42 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3,5-dimethylpiperazine is sourced from PubChem (CID 102797265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).