3-methyl-4-[1-(5-methylpyrrolidin-2-yl)propan-2-yl]-1,2,4-triazole

C11H20N4 — CID 176954094

IUPAC3-methyl-4-[1-(5-methylpyrrolidin-2-yl)propan-2-yl]-1,2,4-triazole
SMILESCc1nncn1C(C)CC1CCC(C)N1
InChIInChI=1S/C11H20N4/c1-8-4-5-11(13-8)6-9(2)15-7-12-14-10(15)3/h7-9,11,13H,4-6H2,1-3H3
InChIKeyKBDXSXLWIKOREJ-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.68
Rot. Bonds3

About 3-methyl-4-[1-(5-methylpyrrolidin-2-yl)propan-2-yl]-1,2,4-triazole

3-methyl-4-[1-(5-methylpyrrolidin-2-yl)propan-2-yl]-1,2,4-triazole (PubChem CID 176954094) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-methyl-4-[1-(5-methylpyrrolidin-2-yl)propan-2-yl]-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-4-[1-(5-methylpyrrolidin-2-yl)propan-2-yl]-1,2,4-triazole
PubChem CID176954094
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3-methyl-4-[1-(5-methylpyrrolidin-2-yl)propan-2-yl]-1,2,4-triazole
SMILESCc1nncn1C(C)CC1CCC(C)N1
InChIInChI=1S/C11H20N4/c1-8-4-5-11(13-8)6-9(2)15-7-12-14-10(15)3/h7-9,11,13H,4-6H2,1-3H3
InChIKeyKBDXSXLWIKOREJ-UHFFFAOYSA-N
XLogP1.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[1-(5-methylpyrrolidin-2-yl)propan-2-yl]-1,2,4-triazole?
The IUPAC name of 3-methyl-4-[1-(5-methylpyrrolidin-2-yl)propan-2-yl]-1,2,4-triazole (CID 176954094) is 3-methyl-4-[1-(5-methylpyrrolidin-2-yl)propan-2-yl]-1,2,4-triazole.
What is the SMILES notation for 3-methyl-4-[1-(5-methylpyrrolidin-2-yl)propan-2-yl]-1,2,4-triazole?
The canonical SMILES for 3-methyl-4-[1-(5-methylpyrrolidin-2-yl)propan-2-yl]-1,2,4-triazole is Cc1nncn1C(C)CC1CCC(C)N1.
What is the InChIKey of 3-methyl-4-[1-(5-methylpyrrolidin-2-yl)propan-2-yl]-1,2,4-triazole?
The InChIKey is KBDXSXLWIKOREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8-4-5-11(13-8)6-9(2)15-7-12-14-10(15)3/h7-9,11,13H,4-6H2,1-3H3.
What are the key properties of 3-methyl-4-[1-(5-methylpyrrolidin-2-yl)propan-2-yl]-1,2,4-triazole?
3-methyl-4-[1-(5-methylpyrrolidin-2-yl)propan-2-yl]-1,2,4-triazole has a molecular weight of 208.31 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[1-(5-methylpyrrolidin-2-yl)propan-2-yl]-1,2,4-triazole is sourced from PubChem (CID 176954094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).