1-(azetidin-3-yl)-4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)triazole

C12H17N7 — CID 79316170

IUPAC1-(azetidin-3-yl)-4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)triazole
SMILESc1c(-c2n[nH]c(C3CCCC3)n2)nnn1C1CNC1
InChIInChI=1S/C12H17N7/c1-2-4-8(3-1)11-14-12(17-16-11)10-7-19(18-15-10)9-5-13-6-9/h7-9,13H,1-6H2,(H,14,16,17)
InChIKeyRGDXARCXGUUWQX-UHFFFAOYSA-N
MW259.32 g/mol
LogP0.87
Rot. Bonds3

About 1-(azetidin-3-yl)-4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)triazole

1-(azetidin-3-yl)-4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)triazole (PubChem CID 79316170) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)triazole.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)triazole
PubChem CID79316170
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name1-(azetidin-3-yl)-4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)triazole
SMILESc1c(-c2n[nH]c(C3CCCC3)n2)nnn1C1CNC1
InChIInChI=1S/C12H17N7/c1-2-4-8(3-1)11-14-12(17-16-11)10-7-19(18-15-10)9-5-13-6-9/h7-9,13H,1-6H2,(H,14,16,17)
InChIKeyRGDXARCXGUUWQX-UHFFFAOYSA-N
XLogP0.87
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)triazole?
The IUPAC name of 1-(azetidin-3-yl)-4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)triazole (CID 79316170) is 1-(azetidin-3-yl)-4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)triazole.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)triazole?
The canonical SMILES for 1-(azetidin-3-yl)-4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)triazole is c1c(-c2n[nH]c(C3CCCC3)n2)nnn1C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)triazole?
The InChIKey is RGDXARCXGUUWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-2-4-8(3-1)11-14-12(17-16-11)10-7-19(18-15-10)9-5-13-6-9/h7-9,13H,1-6H2,(H,14,16,17).
What are the key properties of 1-(azetidin-3-yl)-4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)triazole?
1-(azetidin-3-yl)-4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)triazole has a molecular weight of 259.32 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)triazole is sourced from PubChem (CID 79316170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).