1,5-bis(2H-triazol-4-yl)-1,2,4-triazole

C6H5N9 — CID 54333461

IUPAC1,5-bis(2H-triazol-4-yl)-1,2,4-triazole
SMILESc1nc(-c2cn[nH]n2)n(-c2cn[nH]n2)n1
InChIInChI=1S/C6H5N9/c1-4(11-13-8-1)6-7-3-10-15(6)5-2-9-14-12-5/h1-3H,(H,8,11,13)(H,9,12,14)
InChIKeyFCQKMMJIXMZBKL-UHFFFAOYSA-N
MW203.17 g/mol
LogP-0.83
Rot. Bonds2

About 1,5-bis(2H-triazol-4-yl)-1,2,4-triazole

1,5-bis(2H-triazol-4-yl)-1,2,4-triazole (PubChem CID 54333461) has the molecular formula C6H5N9 and a molecular weight of 203.17 g/mol. Its IUPAC name is 1,5-bis(2H-triazol-4-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1,5-bis(2H-triazol-4-yl)-1,2,4-triazole
PubChem CID54333461
Molecular FormulaC6H5N9
Molecular Weight203.17 g/mol
Exact Mass203.07
IUPAC Name1,5-bis(2H-triazol-4-yl)-1,2,4-triazole
SMILESc1nc(-c2cn[nH]n2)n(-c2cn[nH]n2)n1
InChIInChI=1S/C6H5N9/c1-4(11-13-8-1)6-7-3-10-15(6)5-2-9-14-12-5/h1-3H,(H,8,11,13)(H,9,12,14)
InChIKeyFCQKMMJIXMZBKL-UHFFFAOYSA-N
XLogP-0.83
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]-2H-tetrazole
CID 136144101
1,2,4-Triazolyl-1,2,3-triazole
CID 18940321
2,4,6-tris(2H-triazol-4-yl)-1,3,5-triazine
CID 91018260
3,4-dimethyl-5-(2H-triazol-4-yl)-1,2,4-triazole
CID 18726653
5-[1-(2H-tetrazol-5-yl)imidazol-4-yl]-2H-tetrazole
CID 57050118
3,5-bis(2H-triazol-4-yl)-1H-1,2,4-triazole
CID 57317600
4-(1H-1,2,4-triazol-5-yl)-2-(2H-triazol-4-yl)triazole
CID 67908492
4-[1-(1,2,4-triazol-4-yl)imidazol-2-yl]-2H-triazole
CID 69805424
1-Ethyl-3-(2-methyltriazol-4-yl)-1,2,4-triazole
CID 70250351
4-(1-methylimidazol-2-yl)-2H-triazole
CID 91095435
5-[2-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole
CID 136093593
2-(triazol-1-yl)-4-(1H-1,2,4-triazol-5-yl)triazole
CID 141046170

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2H-triazol-4-yl)-1,2,4-triazole?
The IUPAC name of 1,5-bis(2H-triazol-4-yl)-1,2,4-triazole (CID 54333461) is 1,5-bis(2H-triazol-4-yl)-1,2,4-triazole.
What is the SMILES notation for 1,5-bis(2H-triazol-4-yl)-1,2,4-triazole?
The canonical SMILES for 1,5-bis(2H-triazol-4-yl)-1,2,4-triazole is c1nc(-c2cn[nH]n2)n(-c2cn[nH]n2)n1.
What is the InChIKey of 1,5-bis(2H-triazol-4-yl)-1,2,4-triazole?
The InChIKey is FCQKMMJIXMZBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N9/c1-4(11-13-8-1)6-7-3-10-15(6)5-2-9-14-12-5/h1-3H,(H,8,11,13)(H,9,12,14).
What are the key properties of 1,5-bis(2H-triazol-4-yl)-1,2,4-triazole?
1,5-bis(2H-triazol-4-yl)-1,2,4-triazole has a molecular weight of 203.17 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2H-triazol-4-yl)-1,2,4-triazole is sourced from PubChem (CID 54333461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).