(4-propan-2-yloxyphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone

C15H18N4O2 — CID 91625210

IUPAC(4-propan-2-yloxyphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
SMILESCC(C)Oc1ccc(C(=O)N2CC(n3ccnn3)C2)cc1
InChIInChI=1S/C15H18N4O2/c1-11(2)21-14-5-3-12(4-6-14)15(20)18-9-13(10-18)19-8-7-16-17-19/h3-8,11,13H,9-10H2,1-2H3
InChIKeyTYBJINHTTJKQHJ-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.76
Rot. Bonds4

About (4-propan-2-yloxyphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone

(4-propan-2-yloxyphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone (PubChem CID 91625210) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is (4-propan-2-yloxyphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-propan-2-yloxyphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
PubChem CID91625210
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name(4-propan-2-yloxyphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
SMILESCC(C)Oc1ccc(C(=O)N2CC(n3ccnn3)C2)cc1
InChIInChI=1S/C15H18N4O2/c1-11(2)21-14-5-3-12(4-6-14)15(20)18-9-13(10-18)19-8-7-16-17-19/h3-8,11,13H,9-10H2,1-2H3
InChIKeyTYBJINHTTJKQHJ-UHFFFAOYSA-N
XLogP1.76
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxyphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The IUPAC name of (4-propan-2-yloxyphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone (CID 91625210) is (4-propan-2-yloxyphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (4-propan-2-yloxyphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for (4-propan-2-yloxyphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone is CC(C)Oc1ccc(C(=O)N2CC(n3ccnn3)C2)cc1.
What is the InChIKey of (4-propan-2-yloxyphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The InChIKey is TYBJINHTTJKQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11(2)21-14-5-3-12(4-6-14)15(20)18-9-13(10-18)19-8-7-16-17-19/h3-8,11,13H,9-10H2,1-2H3.
What are the key properties of (4-propan-2-yloxyphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
(4-propan-2-yloxyphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone has a molecular weight of 286.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxyphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 91625210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).