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

C5H6N6 — CID 173048810

IUPAC5-methyl-3-(triazol-1-yl)-1H-1,2,4-triazole
SMILESCc1nc(-n2ccnn2)n[nH]1
InChIInChI=1S/C5H6N6/c1-4-7-5(9-8-4)11-3-2-6-10-11/h2-3H,1H3,(H,7,8,9)
InChIKeyPZZJQRWOJBJEJO-UHFFFAOYSA-N
MW150.15 g/mol
LogP-0.31
Rot. Bonds1

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

5-methyl-3-(triazol-1-yl)-1H-1,2,4-triazole (PubChem CID 173048810) has the molecular formula C5H6N6 and a molecular weight of 150.15 g/mol. Its IUPAC name is 5-methyl-3-(triazol-1-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-3-(triazol-1-yl)-1H-1,2,4-triazole
PubChem CID173048810
Molecular FormulaC5H6N6
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Name5-methyl-3-(triazol-1-yl)-1H-1,2,4-triazole
SMILESCc1nc(-n2ccnn2)n[nH]1
InChIInChI=1S/C5H6N6/c1-4-7-5(9-8-4)11-3-2-6-10-11/h2-3H,1H3,(H,7,8,9)
InChIKeyPZZJQRWOJBJEJO-UHFFFAOYSA-N
XLogP-0.31
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(triazol-1-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-methyl-3-(triazol-1-yl)-1H-1,2,4-triazole (CID 173048810) is 5-methyl-3-(triazol-1-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-methyl-3-(triazol-1-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-methyl-3-(triazol-1-yl)-1H-1,2,4-triazole is Cc1nc(-n2ccnn2)n[nH]1.
What is the InChIKey of 5-methyl-3-(triazol-1-yl)-1H-1,2,4-triazole?
The InChIKey is PZZJQRWOJBJEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6/c1-4-7-5(9-8-4)11-3-2-6-10-11/h2-3H,1H3,(H,7,8,9).
What are the key properties of 5-methyl-3-(triazol-1-yl)-1H-1,2,4-triazole?
5-methyl-3-(triazol-1-yl)-1H-1,2,4-triazole has a molecular weight of 150.15 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(triazol-1-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 173048810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).