1-(azetidin-3-yl)-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)triazole-4-carboxamide

C11H13N7O2 — CID 79320017

IUPAC1-(azetidin-3-yl)-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)triazole-4-carboxamide
SMILESO=C(Nc1nnc(C2CC2)o1)c1cn(C2CNC2)nn1
InChIInChI=1S/C11H13N7O2/c19-9(8-5-18(17-14-8)7-3-12-4-7)13-11-16-15-10(20-11)6-1-2-6/h5-7,12H,1-4H2,(H,13,16,19)
InChIKeyIXGQECOBAZTHFE-UHFFFAOYSA-N
MW275.27 g/mol
LogP-0.06
Rot. Bonds4

About 1-(azetidin-3-yl)-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)triazole-4-carboxamide

1-(azetidin-3-yl)-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)triazole-4-carboxamide (PubChem CID 79320017) has the molecular formula C11H13N7O2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)triazole-4-carboxamide
PubChem CID79320017
Molecular FormulaC11H13N7O2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name1-(azetidin-3-yl)-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)triazole-4-carboxamide
SMILESO=C(Nc1nnc(C2CC2)o1)c1cn(C2CNC2)nn1
InChIInChI=1S/C11H13N7O2/c19-9(8-5-18(17-14-8)7-3-12-4-7)13-11-16-15-10(20-11)6-1-2-6/h5-7,12H,1-4H2,(H,13,16,19)
InChIKeyIXGQECOBAZTHFE-UHFFFAOYSA-N
XLogP-0.06
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)triazole-4-carboxamide (CID 79320017) is 1-(azetidin-3-yl)-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)triazole-4-carboxamide is O=C(Nc1nnc(C2CC2)o1)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)triazole-4-carboxamide?
The InChIKey is IXGQECOBAZTHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O2/c19-9(8-5-18(17-14-8)7-3-12-4-7)13-11-16-15-10(20-11)6-1-2-6/h5-7,12H,1-4H2,(H,13,16,19).
What are the key properties of 1-(azetidin-3-yl)-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)triazole-4-carboxamide?
1-(azetidin-3-yl)-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)triazole-4-carboxamide has a molecular weight of 275.27 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)triazole-4-carboxamide is sourced from PubChem (CID 79320017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).