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

C5H8N4 — CID 139216617

IUPAC5-(azetidin-1-yl)-1H-1,2,4-triazole
SMILESc1n[nH]c(N2CCC2)n1
InChIInChI=1S/C5H8N4/c1-2-9(3-1)5-6-4-7-8-5/h4H,1-3H2,(H,6,7,8)
InChIKeyKIAOFXWROXLBFL-UHFFFAOYSA-N
MW124.15 g/mol
LogP0.01
Rot. Bonds1

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

5-(azetidin-1-yl)-1H-1,2,4-triazole (PubChem CID 139216617) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 5-(azetidin-1-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(azetidin-1-yl)-1H-1,2,4-triazole
PubChem CID139216617
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name5-(azetidin-1-yl)-1H-1,2,4-triazole
SMILESc1n[nH]c(N2CCC2)n1
InChIInChI=1S/C5H8N4/c1-2-9(3-1)5-6-4-7-8-5/h4H,1-3H2,(H,6,7,8)
InChIKeyKIAOFXWROXLBFL-UHFFFAOYSA-N
XLogP0.01
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-(azetidin-1-yl)-1H-1,2,4-triazole (CID 139216617) is 5-(azetidin-1-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(azetidin-1-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(azetidin-1-yl)-1H-1,2,4-triazole is c1n[nH]c(N2CCC2)n1.
What is the InChIKey of 5-(azetidin-1-yl)-1H-1,2,4-triazole?
The InChIKey is KIAOFXWROXLBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-2-9(3-1)5-6-4-7-8-5/h4H,1-3H2,(H,6,7,8).
What are the key properties of 5-(azetidin-1-yl)-1H-1,2,4-triazole?
5-(azetidin-1-yl)-1H-1,2,4-triazole has a molecular weight of 124.15 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 139216617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).