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

C6H7N3O — CID 14362058

IUPACcyclopropyl(1,2,4-triazol-1-yl)methanone
SMILESO=C(C1CC1)n1cncn1
InChIInChI=1S/C6H7N3O/c10-6(5-1-2-5)9-4-7-3-8-9/h3-5H,1-2H2
InChIKeyYGSIVQOXOMZTQW-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.33
Rot. Bonds1

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

cyclopropyl(1,2,4-triazol-1-yl)methanone (PubChem CID 14362058) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is cyclopropyl(1,2,4-triazol-1-yl)methanone.

Molecular Properties

Compound Namecyclopropyl(1,2,4-triazol-1-yl)methanone
PubChem CID14362058
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Namecyclopropyl(1,2,4-triazol-1-yl)methanone
SMILESO=C(C1CC1)n1cncn1
InChIInChI=1S/C6H7N3O/c10-6(5-1-2-5)9-4-7-3-8-9/h3-5H,1-2H2
InChIKeyYGSIVQOXOMZTQW-UHFFFAOYSA-N
XLogP0.33
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl(1,2,4-triazol-1-yl)methanone?
The IUPAC name of cyclopropyl(1,2,4-triazol-1-yl)methanone (CID 14362058) is cyclopropyl(1,2,4-triazol-1-yl)methanone.
What is the SMILES notation for cyclopropyl(1,2,4-triazol-1-yl)methanone?
The canonical SMILES for cyclopropyl(1,2,4-triazol-1-yl)methanone is O=C(C1CC1)n1cncn1.
What is the InChIKey of cyclopropyl(1,2,4-triazol-1-yl)methanone?
The InChIKey is YGSIVQOXOMZTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c10-6(5-1-2-5)9-4-7-3-8-9/h3-5H,1-2H2.
What are the key properties of cyclopropyl(1,2,4-triazol-1-yl)methanone?
cyclopropyl(1,2,4-triazol-1-yl)methanone has a molecular weight of 137.14 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(1,2,4-triazol-1-yl)methanone is sourced from PubChem (CID 14362058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).