(5-methyl-1-benzofuran-2-yl)-(3-propyltriazol-4-yl)methanone

C15H15N3O2 — CID 105129389

IUPAC(5-methyl-1-benzofuran-2-yl)-(3-propyltriazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C15H15N3O2/c1-3-6-18-12(9-16-17-18)15(19)14-8-11-7-10(2)4-5-13(11)20-14/h4-5,7-9H,3,6H2,1-2H3
InChIKeyLTOMMMYODLLDTP-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.97
Rot. Bonds4

About (5-methyl-1-benzofuran-2-yl)-(3-propyltriazol-4-yl)methanone

(5-methyl-1-benzofuran-2-yl)-(3-propyltriazol-4-yl)methanone (PubChem CID 105129389) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is (5-methyl-1-benzofuran-2-yl)-(3-propyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1-benzofuran-2-yl)-(3-propyltriazol-4-yl)methanone
PubChem CID105129389
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name(5-methyl-1-benzofuran-2-yl)-(3-propyltriazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C15H15N3O2/c1-3-6-18-12(9-16-17-18)15(19)14-8-11-7-10(2)4-5-13(11)20-14/h4-5,7-9H,3,6H2,1-2H3
InChIKeyLTOMMMYODLLDTP-UHFFFAOYSA-N
XLogP2.97
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-benzofuran-2-yl)-(3-propyltriazol-4-yl)methanone?
The IUPAC name of (5-methyl-1-benzofuran-2-yl)-(3-propyltriazol-4-yl)methanone (CID 105129389) is (5-methyl-1-benzofuran-2-yl)-(3-propyltriazol-4-yl)methanone.
What is the SMILES notation for (5-methyl-1-benzofuran-2-yl)-(3-propyltriazol-4-yl)methanone?
The canonical SMILES for (5-methyl-1-benzofuran-2-yl)-(3-propyltriazol-4-yl)methanone is CCCn1nncc1C(=O)c1cc2cc(C)ccc2o1.
What is the InChIKey of (5-methyl-1-benzofuran-2-yl)-(3-propyltriazol-4-yl)methanone?
The InChIKey is LTOMMMYODLLDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-3-6-18-12(9-16-17-18)15(19)14-8-11-7-10(2)4-5-13(11)20-14/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of (5-methyl-1-benzofuran-2-yl)-(3-propyltriazol-4-yl)methanone?
(5-methyl-1-benzofuran-2-yl)-(3-propyltriazol-4-yl)methanone has a molecular weight of 269.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-benzofuran-2-yl)-(3-propyltriazol-4-yl)methanone is sourced from PubChem (CID 105129389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).