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

C9H14N6 — CID 12056266

IUPAC1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole
SMILESCc1nc(C)n(Cn2nc(C)nc2C)n1
InChIInChI=1S/C9H14N6/c1-6-10-8(3)14(12-6)5-15-9(4)11-7(2)13-15/h5H2,1-4H3
InChIKeyHWJDALSIXQVGMS-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.61
Rot. Bonds2

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

1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole (PubChem CID 12056266) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole
PubChem CID12056266
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole
SMILESCc1nc(C)n(Cn2nc(C)nc2C)n1
InChIInChI=1S/C9H14N6/c1-6-10-8(3)14(12-6)5-15-9(4)11-7(2)13-15/h5H2,1-4H3
InChIKeyHWJDALSIXQVGMS-UHFFFAOYSA-N
XLogP0.61
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole?
The IUPAC name of 1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole (CID 12056266) is 1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole is Cc1nc(C)n(Cn2nc(C)nc2C)n1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole?
The InChIKey is HWJDALSIXQVGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-6-10-8(3)14(12-6)5-15-9(4)11-7(2)13-15/h5H2,1-4H3.
What are the key properties of 1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole?
1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole has a molecular weight of 206.25 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-3,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 12056266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).