1-methyl-5-(3-methyltriazol-4-yl)triazole

C6H8N6 — CID 132561662

IUPAC1-methyl-5-(3-methyltriazol-4-yl)triazole
SMILESCn1nncc1-c1cnnn1C
InChIInChI=1S/C6H8N6/c1-11-5(3-7-9-11)6-4-8-10-12(6)2/h3-4H,1-2H3
InChIKeyPFMLGHFAKWZLQD-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.39
Rot. Bonds1

About 1-methyl-5-(3-methyltriazol-4-yl)triazole

1-methyl-5-(3-methyltriazol-4-yl)triazole (PubChem CID 132561662) has the molecular formula C6H8N6 and a molecular weight of 164.17 g/mol. Its IUPAC name is 1-methyl-5-(3-methyltriazol-4-yl)triazole.

Molecular Properties

Compound Name1-methyl-5-(3-methyltriazol-4-yl)triazole
PubChem CID132561662
Molecular FormulaC6H8N6
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name1-methyl-5-(3-methyltriazol-4-yl)triazole
SMILESCn1nncc1-c1cnnn1C
InChIInChI=1S/C6H8N6/c1-11-5(3-7-9-11)6-4-8-10-12(6)2/h3-4H,1-2H3
InChIKeyPFMLGHFAKWZLQD-UHFFFAOYSA-N
XLogP-0.39
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-methyltriazol-4-yl)triazole?
The IUPAC name of 1-methyl-5-(3-methyltriazol-4-yl)triazole (CID 132561662) is 1-methyl-5-(3-methyltriazol-4-yl)triazole.
What is the SMILES notation for 1-methyl-5-(3-methyltriazol-4-yl)triazole?
The canonical SMILES for 1-methyl-5-(3-methyltriazol-4-yl)triazole is Cn1nncc1-c1cnnn1C.
What is the InChIKey of 1-methyl-5-(3-methyltriazol-4-yl)triazole?
The InChIKey is PFMLGHFAKWZLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6/c1-11-5(3-7-9-11)6-4-8-10-12(6)2/h3-4H,1-2H3.
What are the key properties of 1-methyl-5-(3-methyltriazol-4-yl)triazole?
1-methyl-5-(3-methyltriazol-4-yl)triazole has a molecular weight of 164.17 g/mol, XLogP of -0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-methyltriazol-4-yl)triazole is sourced from PubChem (CID 132561662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).