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

C11H10N6 — CID 22215524

IUPAC1-methyl-5-(3-phenyltriazol-4-yl)triazole
SMILESCn1nncc1-c1cnnn1-c1ccccc1
InChIInChI=1S/C11H10N6/c1-16-10(7-12-14-16)11-8-13-15-17(11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyGMWKKDBGJOIWOR-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.06
Rot. Bonds2

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

1-methyl-5-(3-phenyltriazol-4-yl)triazole (PubChem CID 22215524) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-methyl-5-(3-phenyltriazol-4-yl)triazole.

Molecular Properties

Compound Name1-methyl-5-(3-phenyltriazol-4-yl)triazole
PubChem CID22215524
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name1-methyl-5-(3-phenyltriazol-4-yl)triazole
SMILESCn1nncc1-c1cnnn1-c1ccccc1
InChIInChI=1S/C11H10N6/c1-16-10(7-12-14-16)11-8-13-15-17(11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyGMWKKDBGJOIWOR-UHFFFAOYSA-N
XLogP1.06
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-phenyltriazol-4-yl)aniline
CID 53485501
5-(2-bromophenyl)-1-phenyltriazole
CID 146164567
1-phenyl-5-thiophen-2-yltriazole
CID 121010770
2-methyl-4-(3-phenyltriazol-4-yl)aniline
CID 114689600
[2-(3-phenyltriazol-4-yl)phenyl]methanamine
CID 114689604
N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine
CID 114691010
[3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine
CID 114689803
6-(3-phenyltriazol-4-yl)pyrimidine-2,4-diamine
CID 106878720
4-fluoro-2-(3-phenyltriazol-4-yl)pyridine
CID 102824567
2,3,5-trichloro-6-(3-phenyltriazol-4-yl)pyridine
CID 102752773
2,5-difluoro-4-(3-phenyltriazol-4-yl)aniline
CID 107616039
5-(3-chloro-2,6-difluorophenyl)-1-phenyltriazole
CID 134343051

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-phenyltriazol-4-yl)triazole?
The IUPAC name of 1-methyl-5-(3-phenyltriazol-4-yl)triazole (CID 22215524) is 1-methyl-5-(3-phenyltriazol-4-yl)triazole.
What is the SMILES notation for 1-methyl-5-(3-phenyltriazol-4-yl)triazole?
The canonical SMILES for 1-methyl-5-(3-phenyltriazol-4-yl)triazole is Cn1nncc1-c1cnnn1-c1ccccc1.
What is the InChIKey of 1-methyl-5-(3-phenyltriazol-4-yl)triazole?
The InChIKey is GMWKKDBGJOIWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c1-16-10(7-12-14-16)11-8-13-15-17(11)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 1-methyl-5-(3-phenyltriazol-4-yl)triazole?
1-methyl-5-(3-phenyltriazol-4-yl)triazole has a molecular weight of 226.24 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-phenyltriazol-4-yl)triazole is sourced from PubChem (CID 22215524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).