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

C7H10N6 — CID 18726645

IUPAC3,4-dimethyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-triazole
SMILESCc1nnc(-c2ncnn2C)n1C
InChIInChI=1S/C7H10N6/c1-5-10-11-7(12(5)2)6-8-4-9-13(6)3/h4H,1-3H3
InChIKeyODNBLXAUQYYCSL-UHFFFAOYSA-N
MW178.20 g/mol
LogP-0.08
Rot. Bonds1

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

3,4-dimethyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-triazole (PubChem CID 18726645) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 3,4-dimethyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-triazole.

Molecular Properties

Compound Name3,4-dimethyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-triazole
PubChem CID18726645
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name3,4-dimethyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-triazole
SMILESCc1nnc(-c2ncnn2C)n1C
InChIInChI=1S/C7H10N6/c1-5-10-11-7(12(5)2)6-8-4-9-13(6)3/h4H,1-3H3
InChIKeyODNBLXAUQYYCSL-UHFFFAOYSA-N
XLogP-0.08
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-triazole?
The IUPAC name of 3,4-dimethyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-triazole (CID 18726645) is 3,4-dimethyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-triazole.
What is the SMILES notation for 3,4-dimethyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-triazole?
The canonical SMILES for 3,4-dimethyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-triazole is Cc1nnc(-c2ncnn2C)n1C.
What is the InChIKey of 3,4-dimethyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-triazole?
The InChIKey is ODNBLXAUQYYCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-5-10-11-7(12(5)2)6-8-4-9-13(6)3/h4H,1-3H3.
What are the key properties of 3,4-dimethyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-triazole?
3,4-dimethyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-triazole has a molecular weight of 178.20 g/mol, XLogP of -0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-triazole is sourced from PubChem (CID 18726645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).