5-methyl-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-1,2,4-triazole

C12H18N6 — CID 74250654

IUPAC5-methyl-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-1,2,4-triazole
SMILESCc1cnc(CN2CCCC2c2n[nH]c(C)n2)[nH]1
InChIInChI=1S/C12H18N6/c1-8-6-13-11(14-8)7-18-5-3-4-10(18)12-15-9(2)16-17-12/h6,10H,3-5,7H2,1-2H3,(H,13,14)(H,15,16,17)
InChIKeyUAXMVJYFHNYBMX-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.48
Rot. Bonds3

About 5-methyl-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-1,2,4-triazole

5-methyl-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-1,2,4-triazole (PubChem CID 74250654) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 5-methyl-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-1,2,4-triazole
PubChem CID74250654
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name5-methyl-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-1,2,4-triazole
SMILESCc1cnc(CN2CCCC2c2n[nH]c(C)n2)[nH]1
InChIInChI=1S/C12H18N6/c1-8-6-13-11(14-8)7-18-5-3-4-10(18)12-15-9(2)16-17-12/h6,10H,3-5,7H2,1-2H3,(H,13,14)(H,15,16,17)
InChIKeyUAXMVJYFHNYBMX-UHFFFAOYSA-N
XLogP1.48
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-1,2,4-triazole?
The IUPAC name of 5-methyl-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-1,2,4-triazole (CID 74250654) is 5-methyl-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-methyl-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-1,2,4-triazole?
The canonical SMILES for 5-methyl-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-1,2,4-triazole is Cc1cnc(CN2CCCC2c2n[nH]c(C)n2)[nH]1.
What is the InChIKey of 5-methyl-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-1,2,4-triazole?
The InChIKey is UAXMVJYFHNYBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-8-6-13-11(14-8)7-18-5-3-4-10(18)12-15-9(2)16-17-12/h6,10H,3-5,7H2,1-2H3,(H,13,14)(H,15,16,17).
What are the key properties of 5-methyl-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-1,2,4-triazole?
5-methyl-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-1,2,4-triazole has a molecular weight of 246.32 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-1,2,4-triazole is sourced from PubChem (CID 74250654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).