cyclopropyl-(5-phenyl-2H-triazol-4-yl)methanone

C12H11N3O — CID 138981933

IUPACcyclopropyl-(5-phenyl-2H-triazol-4-yl)methanone
SMILESO=C(c1n[nH]nc1-c1ccccc1)C1CC1
InChIInChI=1S/C12H11N3O/c16-12(9-6-7-9)11-10(13-15-14-11)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14,15)
InChIKeyIZZKZLACESSUFT-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.06
Rot. Bonds3

About cyclopropyl-(5-phenyl-2H-triazol-4-yl)methanone

cyclopropyl-(5-phenyl-2H-triazol-4-yl)methanone (PubChem CID 138981933) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is cyclopropyl-(5-phenyl-2H-triazol-4-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(5-phenyl-2H-triazol-4-yl)methanone
PubChem CID138981933
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Namecyclopropyl-(5-phenyl-2H-triazol-4-yl)methanone
SMILESO=C(c1n[nH]nc1-c1ccccc1)C1CC1
InChIInChI=1S/C12H11N3O/c16-12(9-6-7-9)11-10(13-15-14-11)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14,15)
InChIKeyIZZKZLACESSUFT-UHFFFAOYSA-N
XLogP2.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(5-phenyl-2H-triazol-4-yl)methanone?
The IUPAC name of cyclopropyl-(5-phenyl-2H-triazol-4-yl)methanone (CID 138981933) is cyclopropyl-(5-phenyl-2H-triazol-4-yl)methanone.
What is the SMILES notation for cyclopropyl-(5-phenyl-2H-triazol-4-yl)methanone?
The canonical SMILES for cyclopropyl-(5-phenyl-2H-triazol-4-yl)methanone is O=C(c1n[nH]nc1-c1ccccc1)C1CC1.
What is the InChIKey of cyclopropyl-(5-phenyl-2H-triazol-4-yl)methanone?
The InChIKey is IZZKZLACESSUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c16-12(9-6-7-9)11-10(13-15-14-11)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14,15).
What are the key properties of cyclopropyl-(5-phenyl-2H-triazol-4-yl)methanone?
cyclopropyl-(5-phenyl-2H-triazol-4-yl)methanone has a molecular weight of 213.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(5-phenyl-2H-triazol-4-yl)methanone is sourced from PubChem (CID 138981933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).