1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-4-methylpiperazine

C14H17F2N5 — CID 122441042

IUPAC1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-4-methylpiperazine
SMILESCN1CCN(c2cn(Cc3c(F)cccc3F)nn2)CC1
InChIInChI=1S/C14H17F2N5/c1-19-5-7-20(8-6-19)14-10-21(18-17-14)9-11-12(15)3-2-4-13(11)16/h2-4,10H,5-9H2,1H3
InChIKeyNWBGOBDUGHSQRV-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.36
Rot. Bonds3

About 1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-4-methylpiperazine

1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-4-methylpiperazine (PubChem CID 122441042) has the molecular formula C14H17F2N5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-4-methylpiperazine
PubChem CID122441042
Molecular FormulaC14H17F2N5
Molecular Weight293.32 g/mol
Exact Mass293.15
IUPAC Name1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-4-methylpiperazine
SMILESCN1CCN(c2cn(Cc3c(F)cccc3F)nn2)CC1
InChIInChI=1S/C14H17F2N5/c1-19-5-7-20(8-6-19)14-10-21(18-17-14)9-11-12(15)3-2-4-13(11)16/h2-4,10H,5-9H2,1H3
InChIKeyNWBGOBDUGHSQRV-UHFFFAOYSA-N
XLogP1.36
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-4-methylpiperazine?
The IUPAC name of 1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-4-methylpiperazine (CID 122441042) is 1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-4-methylpiperazine?
The canonical SMILES for 1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-4-methylpiperazine is CN1CCN(c2cn(Cc3c(F)cccc3F)nn2)CC1.
What is the InChIKey of 1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-4-methylpiperazine?
The InChIKey is NWBGOBDUGHSQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5/c1-19-5-7-20(8-6-19)14-10-21(18-17-14)9-11-12(15)3-2-4-13(11)16/h2-4,10H,5-9H2,1H3.
What are the key properties of 1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-4-methylpiperazine?
1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-4-methylpiperazine has a molecular weight of 293.32 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-4-methylpiperazine is sourced from PubChem (CID 122441042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).