5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(ethoxymethyl)-1-methyl-1,2,4-triazole

C13H21N5O — CID 72897188

IUPAC5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(ethoxymethyl)-1-methyl-1,2,4-triazole
SMILESCCOCc1nc(CCc2c(C)n[nH]c2C)n(C)n1
InChIInChI=1S/C13H21N5O/c1-5-19-8-12-14-13(18(4)17-12)7-6-11-9(2)15-16-10(11)3/h5-8H2,1-4H3,(H,15,16)
InChIKeyOPZLZICACHEPGC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.48
Rot. Bonds6

About 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(ethoxymethyl)-1-methyl-1,2,4-triazole

5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(ethoxymethyl)-1-methyl-1,2,4-triazole (PubChem CID 72897188) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(ethoxymethyl)-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(ethoxymethyl)-1-methyl-1,2,4-triazole
PubChem CID72897188
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(ethoxymethyl)-1-methyl-1,2,4-triazole
SMILESCCOCc1nc(CCc2c(C)n[nH]c2C)n(C)n1
InChIInChI=1S/C13H21N5O/c1-5-19-8-12-14-13(18(4)17-12)7-6-11-9(2)15-16-10(11)3/h5-8H2,1-4H3,(H,15,16)
InChIKeyOPZLZICACHEPGC-UHFFFAOYSA-N
XLogP1.48
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(ethoxymethyl)-1-methyl-1,2,4-triazole?
The IUPAC name of 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(ethoxymethyl)-1-methyl-1,2,4-triazole (CID 72897188) is 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(ethoxymethyl)-1-methyl-1,2,4-triazole.
What is the SMILES notation for 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(ethoxymethyl)-1-methyl-1,2,4-triazole?
The canonical SMILES for 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(ethoxymethyl)-1-methyl-1,2,4-triazole is CCOCc1nc(CCc2c(C)n[nH]c2C)n(C)n1.
What is the InChIKey of 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(ethoxymethyl)-1-methyl-1,2,4-triazole?
The InChIKey is OPZLZICACHEPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-5-19-8-12-14-13(18(4)17-12)7-6-11-9(2)15-16-10(11)3/h5-8H2,1-4H3,(H,15,16).
What are the key properties of 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(ethoxymethyl)-1-methyl-1,2,4-triazole?
5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(ethoxymethyl)-1-methyl-1,2,4-triazole has a molecular weight of 263.34 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(ethoxymethyl)-1-methyl-1,2,4-triazole is sourced from PubChem (CID 72897188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).