5-methyl-3-(3-methylpyrrolidin-3-yl)-1H-1,2,4-triazole

C8H14N4 — CID 63145294

IUPAC5-methyl-3-(3-methylpyrrolidin-3-yl)-1H-1,2,4-triazole
SMILESCc1nc(C2(C)CCNC2)n[nH]1
InChIInChI=1S/C8H14N4/c1-6-10-7(12-11-6)8(2)3-4-9-5-8/h9H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyWWMKHBNYXZCETQ-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.36
Rot. Bonds1

About 5-methyl-3-(3-methylpyrrolidin-3-yl)-1H-1,2,4-triazole

5-methyl-3-(3-methylpyrrolidin-3-yl)-1H-1,2,4-triazole (PubChem CID 63145294) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 5-methyl-3-(3-methylpyrrolidin-3-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-3-(3-methylpyrrolidin-3-yl)-1H-1,2,4-triazole
PubChem CID63145294
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name5-methyl-3-(3-methylpyrrolidin-3-yl)-1H-1,2,4-triazole
SMILESCc1nc(C2(C)CCNC2)n[nH]1
InChIInChI=1S/C8H14N4/c1-6-10-7(12-11-6)8(2)3-4-9-5-8/h9H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyWWMKHBNYXZCETQ-UHFFFAOYSA-N
XLogP0.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3-methylpyrrolidin-3-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-methyl-3-(3-methylpyrrolidin-3-yl)-1H-1,2,4-triazole (CID 63145294) is 5-methyl-3-(3-methylpyrrolidin-3-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-methyl-3-(3-methylpyrrolidin-3-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-methyl-3-(3-methylpyrrolidin-3-yl)-1H-1,2,4-triazole is Cc1nc(C2(C)CCNC2)n[nH]1.
What is the InChIKey of 5-methyl-3-(3-methylpyrrolidin-3-yl)-1H-1,2,4-triazole?
The InChIKey is WWMKHBNYXZCETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-6-10-7(12-11-6)8(2)3-4-9-5-8/h9H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of 5-methyl-3-(3-methylpyrrolidin-3-yl)-1H-1,2,4-triazole?
5-methyl-3-(3-methylpyrrolidin-3-yl)-1H-1,2,4-triazole has a molecular weight of 166.23 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-methylpyrrolidin-3-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 63145294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).