1-methyl-4-[(4-methyltriazol-1-yl)methyl]triazole

C7H10N6 — CID 58481267

IUPAC1-methyl-4-[(4-methyltriazol-1-yl)methyl]triazole
SMILESCc1cn(Cc2cn(C)nn2)nn1
InChIInChI=1S/C7H10N6/c1-6-3-13(11-8-6)5-7-4-12(2)10-9-7/h3-4H,5H2,1-2H3
InChIKeyQGWSCMOXAKUVSV-UHFFFAOYSA-N
MW178.20 g/mol
LogP-0.24
Rot. Bonds2

About 1-methyl-4-[(4-methyltriazol-1-yl)methyl]triazole

1-methyl-4-[(4-methyltriazol-1-yl)methyl]triazole (PubChem CID 58481267) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 1-methyl-4-[(4-methyltriazol-1-yl)methyl]triazole.

Molecular Properties

Compound Name1-methyl-4-[(4-methyltriazol-1-yl)methyl]triazole
PubChem CID58481267
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name1-methyl-4-[(4-methyltriazol-1-yl)methyl]triazole
SMILESCc1cn(Cc2cn(C)nn2)nn1
InChIInChI=1S/C7H10N6/c1-6-3-13(11-8-6)5-7-4-12(2)10-9-7/h3-4H,5H2,1-2H3
InChIKeyQGWSCMOXAKUVSV-UHFFFAOYSA-N
XLogP-0.24
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-methyltriazol-1-yl)methyl]triazole?
The IUPAC name of 1-methyl-4-[(4-methyltriazol-1-yl)methyl]triazole (CID 58481267) is 1-methyl-4-[(4-methyltriazol-1-yl)methyl]triazole.
What is the SMILES notation for 1-methyl-4-[(4-methyltriazol-1-yl)methyl]triazole?
The canonical SMILES for 1-methyl-4-[(4-methyltriazol-1-yl)methyl]triazole is Cc1cn(Cc2cn(C)nn2)nn1.
What is the InChIKey of 1-methyl-4-[(4-methyltriazol-1-yl)methyl]triazole?
The InChIKey is QGWSCMOXAKUVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-6-3-13(11-8-6)5-7-4-12(2)10-9-7/h3-4H,5H2,1-2H3.
What are the key properties of 1-methyl-4-[(4-methyltriazol-1-yl)methyl]triazole?
1-methyl-4-[(4-methyltriazol-1-yl)methyl]triazole has a molecular weight of 178.20 g/mol, XLogP of -0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-methyltriazol-1-yl)methyl]triazole is sourced from PubChem (CID 58481267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).