1-(triazol-1-yl)-1,2,4-triazole

C4H4N6 — CID 123871191

IUPAC1-(triazol-1-yl)-1,2,4-triazole
SMILESc1cn(-n2cncn2)nn1
InChIInChI=1S/C4H4N6/c1-2-9(8-6-1)10-4-5-3-7-10/h1-4H
InChIKeyAIVCLLMCMATXKF-UHFFFAOYSA-N
MW136.12 g/mol
LogP-0.82
Rot. Bonds1

About 1-(triazol-1-yl)-1,2,4-triazole

1-(triazol-1-yl)-1,2,4-triazole (PubChem CID 123871191) has the molecular formula C4H4N6 and a molecular weight of 136.12 g/mol. Its IUPAC name is 1-(triazol-1-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(triazol-1-yl)-1,2,4-triazole
PubChem CID123871191
Molecular FormulaC4H4N6
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name1-(triazol-1-yl)-1,2,4-triazole
SMILESc1cn(-n2cncn2)nn1
InChIInChI=1S/C4H4N6/c1-2-9(8-6-1)10-4-5-3-7-10/h1-4H
InChIKeyAIVCLLMCMATXKF-UHFFFAOYSA-N
XLogP-0.82
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[10-(1,2,4-triazol-1-yl)anthracen-9-yl]triazole
CID 175284463
1-pyrrolidin-1-yl-1,2,4-triazole
CID 69380848
1-(1,2,4-triazol-1-yl)imidazolidin-2-one
CID 150408021
imidazol-1-ylmethanol;pyrrol-1-ylmethanol;triazol-1-ylmethanol;1,2,4-triazol-1-ylmethanol
CID 160532298
1-(4-nitropyrazol-1-yl)-1,2,4-triazole
CID 141178933
2-(1H-phosphol-2-yl)-4-(triazol-1-yl)-5-(1,2,4-triazol-1-yl)triazole
CID 173177206
1-(triazol-1-yl)pyrrolidin-3-ol
CID 118271975
1,2,4-triazol-1-ylsilane
CID 123696978
1,2,4-triazol-1-yltin(3+)
CID 23046012
CID 143951776
CID 143951776
triazol-1-ylarsane
CID 173369083
2-(1,2,4-triazol-1-yl)ethyl 4-(triazol-1-yl)benzoate
CID 75392614

Frequently Asked Questions

What is the IUPAC name of 1-(triazol-1-yl)-1,2,4-triazole?
The IUPAC name of 1-(triazol-1-yl)-1,2,4-triazole (CID 123871191) is 1-(triazol-1-yl)-1,2,4-triazole.
What is the SMILES notation for 1-(triazol-1-yl)-1,2,4-triazole?
The canonical SMILES for 1-(triazol-1-yl)-1,2,4-triazole is c1cn(-n2cncn2)nn1.
What is the InChIKey of 1-(triazol-1-yl)-1,2,4-triazole?
The InChIKey is AIVCLLMCMATXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N6/c1-2-9(8-6-1)10-4-5-3-7-10/h1-4H.
What are the key properties of 1-(triazol-1-yl)-1,2,4-triazole?
1-(triazol-1-yl)-1,2,4-triazole has a molecular weight of 136.12 g/mol, XLogP of -0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(triazol-1-yl)-1,2,4-triazole is sourced from PubChem (CID 123871191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).