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

C5H6N6 — CID 54482159

IUPAC5-methyl-1-(triazol-1-yl)-1,2,4-triazole
SMILESCc1ncnn1-n1ccnn1
InChIInChI=1S/C5H6N6/c1-5-6-4-8-11(5)10-3-2-7-9-10/h2-4H,1H3
InChIKeyXPTJBZOVXWVQCK-UHFFFAOYSA-N
MW150.15 g/mol
LogP-0.51
Rot. Bonds1

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

5-methyl-1-(triazol-1-yl)-1,2,4-triazole (PubChem CID 54482159) has the molecular formula C5H6N6 and a molecular weight of 150.15 g/mol. Its IUPAC name is 5-methyl-1-(triazol-1-yl)-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-1-(triazol-1-yl)-1,2,4-triazole
PubChem CID54482159
Molecular FormulaC5H6N6
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Name5-methyl-1-(triazol-1-yl)-1,2,4-triazole
SMILESCc1ncnn1-n1ccnn1
InChIInChI=1S/C5H6N6/c1-5-6-4-8-11(5)10-3-2-7-9-10/h2-4H,1H3
InChIKeyXPTJBZOVXWVQCK-UHFFFAOYSA-N
XLogP-0.51
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 ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(triazol-1-yl)-1,2,4-triazole?
The IUPAC name of 5-methyl-1-(triazol-1-yl)-1,2,4-triazole (CID 54482159) is 5-methyl-1-(triazol-1-yl)-1,2,4-triazole.
What is the SMILES notation for 5-methyl-1-(triazol-1-yl)-1,2,4-triazole?
The canonical SMILES for 5-methyl-1-(triazol-1-yl)-1,2,4-triazole is Cc1ncnn1-n1ccnn1.
What is the InChIKey of 5-methyl-1-(triazol-1-yl)-1,2,4-triazole?
The InChIKey is XPTJBZOVXWVQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6/c1-5-6-4-8-11(5)10-3-2-7-9-10/h2-4H,1H3.
What are the key properties of 5-methyl-1-(triazol-1-yl)-1,2,4-triazole?
5-methyl-1-(triazol-1-yl)-1,2,4-triazole has a molecular weight of 150.15 g/mol, XLogP of -0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(triazol-1-yl)-1,2,4-triazole is sourced from PubChem (CID 54482159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).