1-ethyl-4-[[5-(methoxymethyl)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine

C18H27N5O2 — CID 131909014

IUPAC1-ethyl-4-[[5-(methoxymethyl)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine
SMILESCCN1CCN(Cc2nc(COC)nn2-c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H27N5O2/c1-4-21-9-11-22(12-10-21)13-18-19-17(14-24-2)20-23(18)15-5-7-16(25-3)8-6-15/h5-8H,4,9-14H2,1-3H3
InChIKeyBBNWXSVCLHTFQY-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.56
Rot. Bonds7

About 1-ethyl-4-[[5-(methoxymethyl)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine

1-ethyl-4-[[5-(methoxymethyl)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine (PubChem CID 131909014) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-ethyl-4-[[5-(methoxymethyl)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[[5-(methoxymethyl)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine
PubChem CID131909014
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-ethyl-4-[[5-(methoxymethyl)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine
SMILESCCN1CCN(Cc2nc(COC)nn2-c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H27N5O2/c1-4-21-9-11-22(12-10-21)13-18-19-17(14-24-2)20-23(18)15-5-7-16(25-3)8-6-15/h5-8H,4,9-14H2,1-3H3
InChIKeyBBNWXSVCLHTFQY-UHFFFAOYSA-N
XLogP1.56
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4-ethylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 20983318
ethane;1-ethyl-4-[[4-(methoxymethyl)phenyl]methyl]piperazine
CID 155582592
1-ethyl-4-[[3-methoxy-6-(4-methoxyphenyl)-2-pyridinyl]methyl]piperazine
CID 141165774
N,N-diethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 42671407
1-(3,5-dimethoxyphenyl)-4-ethylpiperazine
CID 143598581
1-(4-chloro-3-fluorophenyl)-5-(chloromethyl)-3-(methoxymethyl)-1,2,4-triazole
CID 169041952
3-ethyl-1-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 142218254
N-ethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine
CID 42671411
3-(methoxymethyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133352235
5-ethyl-1-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 84614188
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
5-butyl-3-chloro-1-(4-methoxyphenyl)-1,2,4-triazole
CID 30032859

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[5-(methoxymethyl)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine?
The IUPAC name of 1-ethyl-4-[[5-(methoxymethyl)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine (CID 131909014) is 1-ethyl-4-[[5-(methoxymethyl)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[[5-(methoxymethyl)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[[5-(methoxymethyl)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine is CCN1CCN(Cc2nc(COC)nn2-c2ccc(OC)cc2)CC1.
What is the InChIKey of 1-ethyl-4-[[5-(methoxymethyl)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine?
The InChIKey is BBNWXSVCLHTFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-4-21-9-11-22(12-10-21)13-18-19-17(14-24-2)20-23(18)15-5-7-16(25-3)8-6-15/h5-8H,4,9-14H2,1-3H3.
What are the key properties of 1-ethyl-4-[[5-(methoxymethyl)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine?
1-ethyl-4-[[5-(methoxymethyl)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine has a molecular weight of 345.45 g/mol, XLogP of 1.56, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[5-(methoxymethyl)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine is sourced from PubChem (CID 131909014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).