5-(2-cyclopropyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile

C9H7N5O — CID 122478830

IUPAC5-(2-cyclopropyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1coc(C2CC2)n1
InChIInChI=1S/C9H7N5O/c10-3-6-8(13-14-12-6)7-4-15-9(11-7)5-1-2-5/h4-5H,1-2H2,(H,12,13,14)
InChIKeyFAAOSIWBROSPAU-UHFFFAOYSA-N
MW201.19 g/mol
LogP1.21
Rot. Bonds2

About 5-(2-cyclopropyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile

5-(2-cyclopropyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile (PubChem CID 122478830) has the molecular formula C9H7N5O and a molecular weight of 201.19 g/mol. Its IUPAC name is 5-(2-cyclopropyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-cyclopropyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile
PubChem CID122478830
Molecular FormulaC9H7N5O
Molecular Weight201.19 g/mol
Exact Mass201.07
IUPAC Name5-(2-cyclopropyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1coc(C2CC2)n1
InChIInChI=1S/C9H7N5O/c10-3-6-8(13-14-12-6)7-4-15-9(11-7)5-1-2-5/h4-5H,1-2H2,(H,12,13,14)
InChIKeyFAAOSIWBROSPAU-UHFFFAOYSA-N
XLogP1.21
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile?
The IUPAC name of 5-(2-cyclopropyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile (CID 122478830) is 5-(2-cyclopropyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile.
What is the SMILES notation for 5-(2-cyclopropyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile?
The canonical SMILES for 5-(2-cyclopropyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile is N#Cc1n[nH]nc1-c1coc(C2CC2)n1.
What is the InChIKey of 5-(2-cyclopropyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile?
The InChIKey is FAAOSIWBROSPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O/c10-3-6-8(13-14-12-6)7-4-15-9(11-7)5-1-2-5/h4-5H,1-2H2,(H,12,13,14).
What are the key properties of 5-(2-cyclopropyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile?
5-(2-cyclopropyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile has a molecular weight of 201.19 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-1,3-oxazol-4-yl)-2H-triazole-4-carbonitrile is sourced from PubChem (CID 122478830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).