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

C4H4N6 — CID 18940321

IUPAC4-(1H-1,2,4-triazol-5-yl)-2H-triazole
SMILESc1n[nH]c(-c2cn[nH]n2)n1
InChIInChI=1S/C4H4N6/c1-3(8-10-6-1)4-5-2-7-9-4/h1-2H,(H,5,7,9)(H,6,8,10)
InChIKeyHJMSUVZLHIITOC-UHFFFAOYSA-N
MW136.12 g/mol
LogP-0.41
Rot. Bonds1

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

4-(1H-1,2,4-triazol-5-yl)-2H-triazole (PubChem CID 18940321) has the molecular formula C4H4N6 and a molecular weight of 136.12 g/mol. Its IUPAC name is 4-(1H-1,2,4-triazol-5-yl)-2H-triazole.

Molecular Properties

Compound Name4-(1H-1,2,4-triazol-5-yl)-2H-triazole
PubChem CID18940321
Molecular FormulaC4H4N6
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name4-(1H-1,2,4-triazol-5-yl)-2H-triazole
SMILESc1n[nH]c(-c2cn[nH]n2)n1
InChIInChI=1S/C4H4N6/c1-3(8-10-6-1)4-5-2-7-9-4/h1-2H,(H,5,7,9)(H,6,8,10)
InChIKeyHJMSUVZLHIITOC-UHFFFAOYSA-N
XLogP-0.41
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-1,2,4-Triazol-5-yl)pyrazine
CID 12145987
Triazolyl-1,3,5-triazine
CID 54537303
Imidazolyltriazole
CID 135966856
3-(5-Methyl-1,2,4-triazol-3-yl)furazan
CID 129872109
(1,2,4-Triazol-3-yl)furazan
CID 129873290
N-(2,2-difluoroethyl)-5-(1-methyltriazol-4-yl)-1H-1,2,4-triazol-3-amine
CID 136574787
N-(2,2-difluoroethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine
CID 138014743
3-(2H-triazol-4-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 167802974
3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-thiadiazole
CID 167875874
2-(1-Methyl-1$l^{5},2,4-triazacyclopenta-2,5-dien-3-yl)pyrazine
CID 71593362
5-Amino-3-(2-pyrazinyl)-1H-1,2,4-triazole
CID 3826939
3,4-dimethyl-5-(2H-triazol-4-yl)-1,2,4-triazole
CID 18726653

Frequently Asked Questions

What is the IUPAC name of 4-(1H-1,2,4-triazol-5-yl)-2H-triazole?
The IUPAC name of 4-(1H-1,2,4-triazol-5-yl)-2H-triazole (CID 18940321) is 4-(1H-1,2,4-triazol-5-yl)-2H-triazole.
What is the SMILES notation for 4-(1H-1,2,4-triazol-5-yl)-2H-triazole?
The canonical SMILES for 4-(1H-1,2,4-triazol-5-yl)-2H-triazole is c1n[nH]c(-c2cn[nH]n2)n1.
What is the InChIKey of 4-(1H-1,2,4-triazol-5-yl)-2H-triazole?
The InChIKey is HJMSUVZLHIITOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N6/c1-3(8-10-6-1)4-5-2-7-9-4/h1-2H,(H,5,7,9)(H,6,8,10).
What are the key properties of 4-(1H-1,2,4-triazol-5-yl)-2H-triazole?
4-(1H-1,2,4-triazol-5-yl)-2H-triazole has a molecular weight of 136.12 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-1,2,4-triazol-5-yl)-2H-triazole is sourced from PubChem (CID 18940321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).