1-methyl-4-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propyl]piperazine

C17H25N5 — CID 170863331

IUPAC1-methyl-4-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propyl]piperazine
SMILESCN1CCN(CCCc2cccc(Cn3cncn3)c2)CC1
InChIInChI=1S/C17H25N5/c1-20-8-10-21(11-9-20)7-3-6-16-4-2-5-17(12-16)13-22-15-18-14-19-22/h2,4-5,12,14-15H,3,6-11,13H2,1H3
InChIKeyUQMROEGLMNEOTF-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.51
Rot. Bonds6

About 1-methyl-4-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propyl]piperazine

1-methyl-4-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propyl]piperazine (PubChem CID 170863331) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-methyl-4-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propyl]piperazine
PubChem CID170863331
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name1-methyl-4-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propyl]piperazine
SMILESCN1CCN(CCCc2cccc(Cn3cncn3)c2)CC1
InChIInChI=1S/C17H25N5/c1-20-8-10-21(11-9-20)7-3-6-16-4-2-5-17(12-16)13-22-15-18-14-19-22/h2,4-5,12,14-15H,3,6-11,13H2,1H3
InChIKeyUQMROEGLMNEOTF-UHFFFAOYSA-N
XLogP1.51
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-iodophenyl)propyl]-4-methylpiperazine
CID 170862396
N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
CID 170866061
1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
CID 141348331
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62446622
3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]aniline
CID 115341733
3-(1,2,4-triazol-1-ylmethyl)benzoic acid
CID 3159713
N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62446621
1-methyl-4-[3-[3-(pyridin-3-ylmethoxy)phenyl]propyl]piperazine
CID 170863930
3-(1,2,4-triazol-1-ylmethyl)benzoate
CID 7219985
1-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 70745575
1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole
CID 23274336

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propyl]piperazine?
The IUPAC name of 1-methyl-4-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propyl]piperazine (CID 170863331) is 1-methyl-4-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propyl]piperazine is CN1CCN(CCCc2cccc(Cn3cncn3)c2)CC1.
What is the InChIKey of 1-methyl-4-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propyl]piperazine?
The InChIKey is UQMROEGLMNEOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-20-8-10-21(11-9-20)7-3-6-16-4-2-5-17(12-16)13-22-15-18-14-19-22/h2,4-5,12,14-15H,3,6-11,13H2,1H3.
What are the key properties of 1-methyl-4-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propyl]piperazine?
1-methyl-4-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propyl]piperazine has a molecular weight of 299.42 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propyl]piperazine is sourced from PubChem (CID 170863331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).