1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]-4-methylpiperazine

C14H23N7 — CID 51354297

IUPAC1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2cn(CCCc3cnc[nH]3)nn2)CC1
InChIInChI=1S/C14H23N7/c1-19-5-7-20(8-6-19)10-14-11-21(18-17-14)4-2-3-13-9-15-12-16-13/h9,11-12H,2-8,10H2,1H3,(H,15,16)
InChIKeyMXVSWHVQKWOCDV-UHFFFAOYSA-N
MW289.39 g/mol
LogP0.38
Rot. Bonds6

About 1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]-4-methylpiperazine

1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]-4-methylpiperazine (PubChem CID 51354297) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]-4-methylpiperazine
PubChem CID51354297
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2cn(CCCc3cnc[nH]3)nn2)CC1
InChIInChI=1S/C14H23N7/c1-19-5-7-20(8-6-19)10-14-11-21(18-17-14)4-2-3-13-9-15-12-16-13/h9,11-12H,2-8,10H2,1H3,(H,15,16)
InChIKeyMXVSWHVQKWOCDV-UHFFFAOYSA-N
XLogP0.38
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]-4-methylpiperazine (CID 51354297) is 1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]-4-methylpiperazine is CN1CCN(Cc2cn(CCCc3cnc[nH]3)nn2)CC1.
What is the InChIKey of 1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]-4-methylpiperazine?
The InChIKey is MXVSWHVQKWOCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-19-5-7-20(8-6-19)10-14-11-21(18-17-14)4-2-3-13-9-15-12-16-13/h9,11-12H,2-8,10H2,1H3,(H,15,16).
What are the key properties of 1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]-4-methylpiperazine?
1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]-4-methylpiperazine has a molecular weight of 289.39 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 51354297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).