cyclopropyl(1H-1,2,4-triazol-5-yl)methanone

C6H7N3O — CID 65362868

IUPACcyclopropyl(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)C1CC1
InChIInChI=1S/C6H7N3O/c10-5(4-1-2-4)6-7-3-8-9-6/h3-4H,1-2H2,(H,7,8,9)
InChIKeyQGIJRWRTXXNAEV-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.40
Rot. Bonds2

About cyclopropyl(1H-1,2,4-triazol-5-yl)methanone

cyclopropyl(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 65362868) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is cyclopropyl(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Namecyclopropyl(1H-1,2,4-triazol-5-yl)methanone
PubChem CID65362868
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Namecyclopropyl(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)C1CC1
InChIInChI=1S/C6H7N3O/c10-5(4-1-2-4)6-7-3-8-9-6/h3-4H,1-2H2,(H,7,8,9)
InChIKeyQGIJRWRTXXNAEV-UHFFFAOYSA-N
XLogP0.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of cyclopropyl(1H-1,2,4-triazol-5-yl)methanone (CID 65362868) is cyclopropyl(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for cyclopropyl(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for cyclopropyl(1H-1,2,4-triazol-5-yl)methanone is O=C(c1ncn[nH]1)C1CC1.
What is the InChIKey of cyclopropyl(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is QGIJRWRTXXNAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c10-5(4-1-2-4)6-7-3-8-9-6/h3-4H,1-2H2,(H,7,8,9).
What are the key properties of cyclopropyl(1H-1,2,4-triazol-5-yl)methanone?
cyclopropyl(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 137.14 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 65362868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).