1,5-dimethyl-4-(1-methyltriazol-4-yl)triazole

C7H10N6 — CID 167907347

IUPAC1,5-dimethyl-4-(1-methyltriazol-4-yl)triazole
SMILESCc1c(-c2cn(C)nn2)nnn1C
InChIInChI=1S/C7H10N6/c1-5-7(9-11-13(5)3)6-4-12(2)10-8-6/h4H,1-3H3
InChIKeyWHHAXDQRGIZDRL-UHFFFAOYSA-N
MW178.20 g/mol
LogP-0.08
Rot. Bonds1

About 1,5-dimethyl-4-(1-methyltriazol-4-yl)triazole

1,5-dimethyl-4-(1-methyltriazol-4-yl)triazole (PubChem CID 167907347) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 1,5-dimethyl-4-(1-methyltriazol-4-yl)triazole.

Molecular Properties

Compound Name1,5-dimethyl-4-(1-methyltriazol-4-yl)triazole
PubChem CID167907347
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name1,5-dimethyl-4-(1-methyltriazol-4-yl)triazole
SMILESCc1c(-c2cn(C)nn2)nnn1C
InChIInChI=1S/C7H10N6/c1-5-7(9-11-13(5)3)6-4-12(2)10-8-6/h4H,1-3H3
InChIKeyWHHAXDQRGIZDRL-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 1,5-dimethyl-4-(1-methyltriazol-4-yl)triazole?
The IUPAC name of 1,5-dimethyl-4-(1-methyltriazol-4-yl)triazole (CID 167907347) is 1,5-dimethyl-4-(1-methyltriazol-4-yl)triazole.
What is the SMILES notation for 1,5-dimethyl-4-(1-methyltriazol-4-yl)triazole?
The canonical SMILES for 1,5-dimethyl-4-(1-methyltriazol-4-yl)triazole is Cc1c(-c2cn(C)nn2)nnn1C.
What is the InChIKey of 1,5-dimethyl-4-(1-methyltriazol-4-yl)triazole?
The InChIKey is WHHAXDQRGIZDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-5-7(9-11-13(5)3)6-4-12(2)10-8-6/h4H,1-3H3.
What are the key properties of 1,5-dimethyl-4-(1-methyltriazol-4-yl)triazole?
1,5-dimethyl-4-(1-methyltriazol-4-yl)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 1,5-dimethyl-4-(1-methyltriazol-4-yl)triazole is sourced from PubChem (CID 167907347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).