[2-(4-chlorophenyl)triazol-4-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone

C14H13ClN4O2 — CID 138035930

IUPAC[2-(4-chlorophenyl)triazol-4-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone
SMILESO=C(c1cnn(-c2ccc(Cl)cc2)n1)N1CCC12COC2
InChIInChI=1S/C14H13ClN4O2/c15-10-1-3-11(4-2-10)19-16-7-12(17-19)13(20)18-6-5-14(18)8-21-9-14/h1-4,7H,5-6,8-9H2
InChIKeyUDPSWFMZWNIYAN-UHFFFAOYSA-N
MW304.74 g/mol
LogP1.54
Rot. Bonds2

About [2-(4-chlorophenyl)triazol-4-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone

[2-(4-chlorophenyl)triazol-4-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone (PubChem CID 138035930) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is [2-(4-chlorophenyl)triazol-4-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)triazol-4-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone
PubChem CID138035930
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name[2-(4-chlorophenyl)triazol-4-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone
SMILESO=C(c1cnn(-c2ccc(Cl)cc2)n1)N1CCC12COC2
InChIInChI=1S/C14H13ClN4O2/c15-10-1-3-11(4-2-10)19-16-7-12(17-19)13(20)18-6-5-14(18)8-21-9-14/h1-4,7H,5-6,8-9H2
InChIKeyUDPSWFMZWNIYAN-UHFFFAOYSA-N
XLogP1.54
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)triazol-4-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone?
The IUPAC name of [2-(4-chlorophenyl)triazol-4-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone (CID 138035930) is [2-(4-chlorophenyl)triazol-4-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)triazol-4-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)triazol-4-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone is O=C(c1cnn(-c2ccc(Cl)cc2)n1)N1CCC12COC2.
What is the InChIKey of [2-(4-chlorophenyl)triazol-4-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone?
The InChIKey is UDPSWFMZWNIYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c15-10-1-3-11(4-2-10)19-16-7-12(17-19)13(20)18-6-5-14(18)8-21-9-14/h1-4,7H,5-6,8-9H2.
What are the key properties of [2-(4-chlorophenyl)triazol-4-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone?
[2-(4-chlorophenyl)triazol-4-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone has a molecular weight of 304.74 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)triazol-4-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone is sourced from PubChem (CID 138035930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).