1-[(1-benzyltriazol-4-yl)methyl]-4-methylpiperazine

C15H21N5 — CID 46228070

IUPAC1-[(1-benzyltriazol-4-yl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2cn(Cc3ccccc3)nn2)CC1
InChIInChI=1S/C15H21N5/c1-18-7-9-19(10-8-18)12-15-13-20(17-16-15)11-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
InChIKeyKOVPBFPTUCFWFN-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.07
Rot. Bonds4

About 1-[(1-benzyltriazol-4-yl)methyl]-4-methylpiperazine

1-[(1-benzyltriazol-4-yl)methyl]-4-methylpiperazine (PubChem CID 46228070) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-[(1-benzyltriazol-4-yl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(1-benzyltriazol-4-yl)methyl]-4-methylpiperazine
PubChem CID46228070
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name1-[(1-benzyltriazol-4-yl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2cn(Cc3ccccc3)nn2)CC1
InChIInChI=1S/C15H21N5/c1-18-7-9-19(10-8-18)12-15-13-20(17-16-15)11-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
InChIKeyKOVPBFPTUCFWFN-UHFFFAOYSA-N
XLogP1.07
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyltriazol-4-yl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(1-benzyltriazol-4-yl)methyl]-4-methylpiperazine (CID 46228070) is 1-[(1-benzyltriazol-4-yl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(1-benzyltriazol-4-yl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(1-benzyltriazol-4-yl)methyl]-4-methylpiperazine is CN1CCN(Cc2cn(Cc3ccccc3)nn2)CC1.
What is the InChIKey of 1-[(1-benzyltriazol-4-yl)methyl]-4-methylpiperazine?
The InChIKey is KOVPBFPTUCFWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-18-7-9-19(10-8-18)12-15-13-20(17-16-15)11-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3.
What are the key properties of 1-[(1-benzyltriazol-4-yl)methyl]-4-methylpiperazine?
1-[(1-benzyltriazol-4-yl)methyl]-4-methylpiperazine has a molecular weight of 271.37 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyltriazol-4-yl)methyl]-4-methylpiperazine is sourced from PubChem (CID 46228070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).