1-methyl-3-[(3R)-3-methylpyrrolidin-1-yl]-1,2,4-triazole

C8H14N4 — CID 141381942

IUPAC1-methyl-3-[(3R)-3-methylpyrrolidin-1-yl]-1,2,4-triazole
SMILESC[C@@H]1CCN(c2ncn(C)n2)C1
InChIInChI=1S/C8H14N4/c1-7-3-4-12(5-7)8-9-6-11(2)10-8/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyBAUMVRNZZPHSDV-SSDOTTSWSA-N
MW166.23 g/mol
LogP0.66
Rot. Bonds1

About 1-methyl-3-[(3R)-3-methylpyrrolidin-1-yl]-1,2,4-triazole

1-methyl-3-[(3R)-3-methylpyrrolidin-1-yl]-1,2,4-triazole (PubChem CID 141381942) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1-methyl-3-[(3R)-3-methylpyrrolidin-1-yl]-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-3-[(3R)-3-methylpyrrolidin-1-yl]-1,2,4-triazole
PubChem CID141381942
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1-methyl-3-[(3R)-3-methylpyrrolidin-1-yl]-1,2,4-triazole
SMILESC[C@@H]1CCN(c2ncn(C)n2)C1
InChIInChI=1S/C8H14N4/c1-7-3-4-12(5-7)8-9-6-11(2)10-8/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyBAUMVRNZZPHSDV-SSDOTTSWSA-N
XLogP0.66
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3R)-3-methylpyrrolidin-1-yl]-1,2,4-triazole?
The IUPAC name of 1-methyl-3-[(3R)-3-methylpyrrolidin-1-yl]-1,2,4-triazole (CID 141381942) is 1-methyl-3-[(3R)-3-methylpyrrolidin-1-yl]-1,2,4-triazole.
What is the SMILES notation for 1-methyl-3-[(3R)-3-methylpyrrolidin-1-yl]-1,2,4-triazole?
The canonical SMILES for 1-methyl-3-[(3R)-3-methylpyrrolidin-1-yl]-1,2,4-triazole is C[C@@H]1CCN(c2ncn(C)n2)C1.
What is the InChIKey of 1-methyl-3-[(3R)-3-methylpyrrolidin-1-yl]-1,2,4-triazole?
The InChIKey is BAUMVRNZZPHSDV-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14N4/c1-7-3-4-12(5-7)8-9-6-11(2)10-8/h6-7H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of 1-methyl-3-[(3R)-3-methylpyrrolidin-1-yl]-1,2,4-triazole?
1-methyl-3-[(3R)-3-methylpyrrolidin-1-yl]-1,2,4-triazole has a molecular weight of 166.23 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3R)-3-methylpyrrolidin-1-yl]-1,2,4-triazole is sourced from PubChem (CID 141381942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).