1-methyl-4-(triazol-1-yl)triazole

C5H6N6 — CID 173277787

IUPAC1-methyl-4-(triazol-1-yl)triazole
SMILESCn1cc(-n2ccnn2)nn1
InChIInChI=1S/C5H6N6/c1-10-4-5(7-9-10)11-3-2-6-8-11/h2-4H,1H3
InChIKeyPTYCUKKBOXSIOI-UHFFFAOYSA-N
MW150.15 g/mol
LogP-0.60
Rot. Bonds1

About 1-methyl-4-(triazol-1-yl)triazole

1-methyl-4-(triazol-1-yl)triazole (PubChem CID 173277787) has the molecular formula C5H6N6 and a molecular weight of 150.15 g/mol. Its IUPAC name is 1-methyl-4-(triazol-1-yl)triazole.

Molecular Properties

Compound Name1-methyl-4-(triazol-1-yl)triazole
PubChem CID173277787
Molecular FormulaC5H6N6
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Name1-methyl-4-(triazol-1-yl)triazole
SMILESCn1cc(-n2ccnn2)nn1
InChIInChI=1S/C5H6N6/c1-10-4-5(7-9-10)11-3-2-6-8-11/h2-4H,1H3
InChIKeyPTYCUKKBOXSIOI-UHFFFAOYSA-N
XLogP-0.60
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(triazol-1-yl)triazole?
The IUPAC name of 1-methyl-4-(triazol-1-yl)triazole (CID 173277787) is 1-methyl-4-(triazol-1-yl)triazole.
What is the SMILES notation for 1-methyl-4-(triazol-1-yl)triazole?
The canonical SMILES for 1-methyl-4-(triazol-1-yl)triazole is Cn1cc(-n2ccnn2)nn1.
What is the InChIKey of 1-methyl-4-(triazol-1-yl)triazole?
The InChIKey is PTYCUKKBOXSIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6/c1-10-4-5(7-9-10)11-3-2-6-8-11/h2-4H,1H3.
What are the key properties of 1-methyl-4-(triazol-1-yl)triazole?
1-methyl-4-(triazol-1-yl)triazole has a molecular weight of 150.15 g/mol, XLogP of -0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(triazol-1-yl)triazole is sourced from PubChem (CID 173277787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).