3,4-diethyl-1-methyl-2H-triazole

C7H15N3 — CID 91514732

IUPAC3,4-diethyl-1-methyl-2H-triazole
SMILESCCC1=CN(C)NN1CC
InChIInChI=1S/C7H15N3/c1-4-7-6-9(3)8-10(7)5-2/h6,8H,4-5H2,1-3H3
InChIKeyGDNOKQNLLDIWHU-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.92
Rot. Bonds2

About 3,4-diethyl-1-methyl-2H-triazole

3,4-diethyl-1-methyl-2H-triazole (PubChem CID 91514732) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 3,4-diethyl-1-methyl-2H-triazole.

Molecular Properties

Compound Name3,4-diethyl-1-methyl-2H-triazole
PubChem CID91514732
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name3,4-diethyl-1-methyl-2H-triazole
SMILESCCC1=CN(C)NN1CC
InChIInChI=1S/C7H15N3/c1-4-7-6-9(3)8-10(7)5-2/h6,8H,4-5H2,1-3H3
InChIKeyGDNOKQNLLDIWHU-UHFFFAOYSA-N
XLogP0.92
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-1-methyl-2H-triazole?
The IUPAC name of 3,4-diethyl-1-methyl-2H-triazole (CID 91514732) is 3,4-diethyl-1-methyl-2H-triazole.
What is the SMILES notation for 3,4-diethyl-1-methyl-2H-triazole?
The canonical SMILES for 3,4-diethyl-1-methyl-2H-triazole is CCC1=CN(C)NN1CC.
What is the InChIKey of 3,4-diethyl-1-methyl-2H-triazole?
The InChIKey is GDNOKQNLLDIWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-4-7-6-9(3)8-10(7)5-2/h6,8H,4-5H2,1-3H3.
What are the key properties of 3,4-diethyl-1-methyl-2H-triazole?
3,4-diethyl-1-methyl-2H-triazole has a molecular weight of 141.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-1-methyl-2H-triazole is sourced from PubChem (CID 91514732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).