5-phenyl-4-propan-2-yl-5H-oxatriazole

C10H13N3O — CID 134402571

IUPAC5-phenyl-4-propan-2-yl-5H-oxatriazole
SMILESCC(C)N1N=NOC1c1ccccc1
InChIInChI=1S/C10H13N3O/c1-8(2)13-10(14-12-11-13)9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKeyGMRUODUMMRZLSC-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.71
Rot. Bonds2

About 5-phenyl-4-propan-2-yl-5H-oxatriazole

5-phenyl-4-propan-2-yl-5H-oxatriazole (PubChem CID 134402571) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-phenyl-4-propan-2-yl-5H-oxatriazole.

Molecular Properties

Compound Name5-phenyl-4-propan-2-yl-5H-oxatriazole
PubChem CID134402571
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name5-phenyl-4-propan-2-yl-5H-oxatriazole
SMILESCC(C)N1N=NOC1c1ccccc1
InChIInChI=1S/C10H13N3O/c1-8(2)13-10(14-12-11-13)9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKeyGMRUODUMMRZLSC-UHFFFAOYSA-N
XLogP2.71
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-propan-2-yl-5H-oxatriazole?
The IUPAC name of 5-phenyl-4-propan-2-yl-5H-oxatriazole (CID 134402571) is 5-phenyl-4-propan-2-yl-5H-oxatriazole.
What is the SMILES notation for 5-phenyl-4-propan-2-yl-5H-oxatriazole?
The canonical SMILES for 5-phenyl-4-propan-2-yl-5H-oxatriazole is CC(C)N1N=NOC1c1ccccc1.
What is the InChIKey of 5-phenyl-4-propan-2-yl-5H-oxatriazole?
The InChIKey is GMRUODUMMRZLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8(2)13-10(14-12-11-13)9-6-4-3-5-7-9/h3-8,10H,1-2H3.
What are the key properties of 5-phenyl-4-propan-2-yl-5H-oxatriazole?
5-phenyl-4-propan-2-yl-5H-oxatriazole has a molecular weight of 191.23 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-propan-2-yl-5H-oxatriazole is sourced from PubChem (CID 134402571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).