furan-3-yl-(2-methyltriazol-4-yl)methanone

C8H7N3O2 — CID 130521392

IUPACfuran-3-yl-(2-methyltriazol-4-yl)methanone
SMILESCn1ncc(C(=O)c2ccoc2)n1
InChIInChI=1S/C8H7N3O2/c1-11-9-4-7(10-11)8(12)6-2-3-13-5-6/h2-5H,1H3
InChIKeyIPFVFBRKHQAKBL-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.64
Rot. Bonds2

About furan-3-yl-(2-methyltriazol-4-yl)methanone

furan-3-yl-(2-methyltriazol-4-yl)methanone (PubChem CID 130521392) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is furan-3-yl-(2-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Namefuran-3-yl-(2-methyltriazol-4-yl)methanone
PubChem CID130521392
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Namefuran-3-yl-(2-methyltriazol-4-yl)methanone
SMILESCn1ncc(C(=O)c2ccoc2)n1
InChIInChI=1S/C8H7N3O2/c1-11-9-4-7(10-11)8(12)6-2-3-13-5-6/h2-5H,1H3
InChIKeyIPFVFBRKHQAKBL-UHFFFAOYSA-N
XLogP0.64
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-(2-methyltriazol-4-yl)methanone?
The IUPAC name of furan-3-yl-(2-methyltriazol-4-yl)methanone (CID 130521392) is furan-3-yl-(2-methyltriazol-4-yl)methanone.
What is the SMILES notation for furan-3-yl-(2-methyltriazol-4-yl)methanone?
The canonical SMILES for furan-3-yl-(2-methyltriazol-4-yl)methanone is Cn1ncc(C(=O)c2ccoc2)n1.
What is the InChIKey of furan-3-yl-(2-methyltriazol-4-yl)methanone?
The InChIKey is IPFVFBRKHQAKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-11-9-4-7(10-11)8(12)6-2-3-13-5-6/h2-5H,1H3.
What are the key properties of furan-3-yl-(2-methyltriazol-4-yl)methanone?
furan-3-yl-(2-methyltriazol-4-yl)methanone has a molecular weight of 177.16 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-(2-methyltriazol-4-yl)methanone is sourced from PubChem (CID 130521392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).