3,5-dimethyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole

C11H16N6 — CID 126511419

IUPAC3,5-dimethyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole
SMILESCc1nc(CC2CC2n2c(C)nnc2C)n[nH]1
InChIInChI=1S/C11H16N6/c1-6-12-11(16-13-6)5-9-4-10(9)17-7(2)14-15-8(17)3/h9-10H,4-5H2,1-3H3,(H,12,13,16)
InChIKeyWVFHTNGDTZSEQG-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.13
Rot. Bonds3

About 3,5-dimethyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole

3,5-dimethyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole (PubChem CID 126511419) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole
PubChem CID126511419
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name3,5-dimethyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole
SMILESCc1nc(CC2CC2n2c(C)nnc2C)n[nH]1
InChIInChI=1S/C11H16N6/c1-6-12-11(16-13-6)5-9-4-10(9)17-7(2)14-15-8(17)3/h9-10H,4-5H2,1-3H3,(H,12,13,16)
InChIKeyWVFHTNGDTZSEQG-UHFFFAOYSA-N
XLogP1.13
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole?
The IUPAC name of 3,5-dimethyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole (CID 126511419) is 3,5-dimethyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole.
What is the SMILES notation for 3,5-dimethyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole?
The canonical SMILES for 3,5-dimethyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole is Cc1nc(CC2CC2n2c(C)nnc2C)n[nH]1.
What is the InChIKey of 3,5-dimethyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole?
The InChIKey is WVFHTNGDTZSEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-6-12-11(16-13-6)5-9-4-10(9)17-7(2)14-15-8(17)3/h9-10H,4-5H2,1-3H3,(H,12,13,16).
What are the key properties of 3,5-dimethyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole?
3,5-dimethyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole has a molecular weight of 232.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-triazole is sourced from PubChem (CID 126511419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).