(2,5-dimethylfuran-3-yl)-(3-methyltriazol-4-yl)methanone

C10H11N3O2 — CID 115806862

IUPAC(2,5-dimethylfuran-3-yl)-(3-methyltriazol-4-yl)methanone
SMILESCc1cc(C(=O)c2cnnn2C)c(C)o1
InChIInChI=1S/C10H11N3O2/c1-6-4-8(7(2)15-6)10(14)9-5-11-12-13(9)3/h4-5H,1-3H3
InChIKeyJULJBLVCNPCOJY-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.26
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-(3-methyltriazol-4-yl)methanone

(2,5-dimethylfuran-3-yl)-(3-methyltriazol-4-yl)methanone (PubChem CID 115806862) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(3-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(3-methyltriazol-4-yl)methanone
PubChem CID115806862
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name(2,5-dimethylfuran-3-yl)-(3-methyltriazol-4-yl)methanone
SMILESCc1cc(C(=O)c2cnnn2C)c(C)o1
InChIInChI=1S/C10H11N3O2/c1-6-4-8(7(2)15-6)10(14)9-5-11-12-13(9)3/h4-5H,1-3H3
InChIKeyJULJBLVCNPCOJY-UHFFFAOYSA-N
XLogP1.26
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(3-methyltriazol-4-yl)methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(3-methyltriazol-4-yl)methanone (CID 115806862) is (2,5-dimethylfuran-3-yl)-(3-methyltriazol-4-yl)methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(3-methyltriazol-4-yl)methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(3-methyltriazol-4-yl)methanone is Cc1cc(C(=O)c2cnnn2C)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(3-methyltriazol-4-yl)methanone?
The InChIKey is JULJBLVCNPCOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-6-4-8(7(2)15-6)10(14)9-5-11-12-13(9)3/h4-5H,1-3H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(3-methyltriazol-4-yl)methanone?
(2,5-dimethylfuran-3-yl)-(3-methyltriazol-4-yl)methanone has a molecular weight of 205.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(3-methyltriazol-4-yl)methanone is sourced from PubChem (CID 115806862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).