1-(azetidin-3-yl)-4-(4-methyl-1,2,4-triazol-3-yl)triazole

C8H11N7 — CID 79316887

IUPAC1-(azetidin-3-yl)-4-(4-methyl-1,2,4-triazol-3-yl)triazole
SMILESCn1cnnc1-c1cn(C2CNC2)nn1
InChIInChI=1S/C8H11N7/c1-14-5-10-12-8(14)7-4-15(13-11-7)6-2-9-3-6/h4-6,9H,2-3H2,1H3
InChIKeyKZJXPBDFVBAUEF-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.78
Rot. Bonds2

About 1-(azetidin-3-yl)-4-(4-methyl-1,2,4-triazol-3-yl)triazole

1-(azetidin-3-yl)-4-(4-methyl-1,2,4-triazol-3-yl)triazole (PubChem CID 79316887) has the molecular formula C8H11N7 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(4-methyl-1,2,4-triazol-3-yl)triazole.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(4-methyl-1,2,4-triazol-3-yl)triazole
PubChem CID79316887
Molecular FormulaC8H11N7
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name1-(azetidin-3-yl)-4-(4-methyl-1,2,4-triazol-3-yl)triazole
SMILESCn1cnnc1-c1cn(C2CNC2)nn1
InChIInChI=1S/C8H11N7/c1-14-5-10-12-8(14)7-4-15(13-11-7)6-2-9-3-6/h4-6,9H,2-3H2,1H3
InChIKeyKZJXPBDFVBAUEF-UHFFFAOYSA-N
XLogP-0.78
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1R)-1-[4-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]ethyl]pyrazol-4-amine
CID 169172677
1-methyl-4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1H-imidazole dihydrochloride
CID 137698595
2-[2-[4-[5-Ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethyl]piperidine
CID 131890908
1-(2-fluoro-2-methylpropyl)-5-(2-methyl-1H-imidazol-5-yl)-1,2,4-triazole
CID 144160100
2-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine
CID 155506513
n-((1-Ethyl-1h-imidazol-2-yl)methyl)-1-methyl-1h-pyrazol-4-amine
CID 62356553
3,4-Dimethyl-5-(1-methylimidazol-4-yl)-1,2,4-triazole
CID 18726637
3,4-dimethyl-5-(2H-triazol-4-yl)-1,2,4-triazole
CID 18726653
5-methyl-3-(3-methylimidazol-4-yl)-1H-1,2,4-triazole
CID 53750869
5-methyl-3-(1-methylimidazol-4-yl)-1H-1,2,4-triazole
CID 53788225
4-Ethyl-3-(3-methylimidazol-4-yl)-1,2,4-triazole
CID 69248459
4-Ethyl-3-(1-methylimidazol-4-yl)-1,2,4-triazole
CID 69250857

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-(4-methyl-1,2,4-triazol-3-yl)triazole?
The IUPAC name of 1-(azetidin-3-yl)-4-(4-methyl-1,2,4-triazol-3-yl)triazole (CID 79316887) is 1-(azetidin-3-yl)-4-(4-methyl-1,2,4-triazol-3-yl)triazole.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(4-methyl-1,2,4-triazol-3-yl)triazole?
The canonical SMILES for 1-(azetidin-3-yl)-4-(4-methyl-1,2,4-triazol-3-yl)triazole is Cn1cnnc1-c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-4-(4-methyl-1,2,4-triazol-3-yl)triazole?
The InChIKey is KZJXPBDFVBAUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7/c1-14-5-10-12-8(14)7-4-15(13-11-7)6-2-9-3-6/h4-6,9H,2-3H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-4-(4-methyl-1,2,4-triazol-3-yl)triazole?
1-(azetidin-3-yl)-4-(4-methyl-1,2,4-triazol-3-yl)triazole has a molecular weight of 205.22 g/mol, XLogP of -0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-(4-methyl-1,2,4-triazol-3-yl)triazole is sourced from PubChem (CID 79316887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).