(5-methylfuran-2-yl)-(4-methyl-1,2,4-triazol-3-yl)methanone

C9H9N3O2 — CID 127004739

IUPAC(5-methylfuran-2-yl)-(4-methyl-1,2,4-triazol-3-yl)methanone
SMILESCc1ccc(C(=O)c2nncn2C)o1
InChIInChI=1S/C9H9N3O2/c1-6-3-4-7(14-6)8(13)9-11-10-5-12(9)2/h3-5H,1-2H3
InChIKeyOCDAXERLPGFILJ-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.95
Rot. Bonds2

About (5-methylfuran-2-yl)-(4-methyl-1,2,4-triazol-3-yl)methanone

(5-methylfuran-2-yl)-(4-methyl-1,2,4-triazol-3-yl)methanone (PubChem CID 127004739) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-(4-methyl-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name(5-methylfuran-2-yl)-(4-methyl-1,2,4-triazol-3-yl)methanone
PubChem CID127004739
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name(5-methylfuran-2-yl)-(4-methyl-1,2,4-triazol-3-yl)methanone
SMILESCc1ccc(C(=O)c2nncn2C)o1
InChIInChI=1S/C9H9N3O2/c1-6-3-4-7(14-6)8(13)9-11-10-5-12(9)2/h3-5H,1-2H3
InChIKeyOCDAXERLPGFILJ-UHFFFAOYSA-N
XLogP0.95
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-(4-methyl-1,2,4-triazol-3-yl)methanone?
The IUPAC name of (5-methylfuran-2-yl)-(4-methyl-1,2,4-triazol-3-yl)methanone (CID 127004739) is (5-methylfuran-2-yl)-(4-methyl-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for (5-methylfuran-2-yl)-(4-methyl-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for (5-methylfuran-2-yl)-(4-methyl-1,2,4-triazol-3-yl)methanone is Cc1ccc(C(=O)c2nncn2C)o1.
What is the InChIKey of (5-methylfuran-2-yl)-(4-methyl-1,2,4-triazol-3-yl)methanone?
The InChIKey is OCDAXERLPGFILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-6-3-4-7(14-6)8(13)9-11-10-5-12(9)2/h3-5H,1-2H3.
What are the key properties of (5-methylfuran-2-yl)-(4-methyl-1,2,4-triazol-3-yl)methanone?
(5-methylfuran-2-yl)-(4-methyl-1,2,4-triazol-3-yl)methanone has a molecular weight of 191.19 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)-(4-methyl-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 127004739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).