(5-bromofuran-2-yl)-(3-propyltriazol-4-yl)methanone

C10H10BrN3O2 — CID 115802309

IUPAC(5-bromofuran-2-yl)-(3-propyltriazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)c1ccc(Br)o1
InChIInChI=1S/C10H10BrN3O2/c1-2-5-14-7(6-12-13-14)10(15)8-3-4-9(11)16-8/h3-4,6H,2,5H2,1H3
InChIKeyONXIVAHBDPPRRF-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.27
Rot. Bonds4

About (5-bromofuran-2-yl)-(3-propyltriazol-4-yl)methanone

(5-bromofuran-2-yl)-(3-propyltriazol-4-yl)methanone (PubChem CID 115802309) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(3-propyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(3-propyltriazol-4-yl)methanone
PubChem CID115802309
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name(5-bromofuran-2-yl)-(3-propyltriazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)c1ccc(Br)o1
InChIInChI=1S/C10H10BrN3O2/c1-2-5-14-7(6-12-13-14)10(15)8-3-4-9(11)16-8/h3-4,6H,2,5H2,1H3
InChIKeyONXIVAHBDPPRRF-UHFFFAOYSA-N
XLogP2.27
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(3-propyltriazol-4-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(3-propyltriazol-4-yl)methanone (CID 115802309) is (5-bromofuran-2-yl)-(3-propyltriazol-4-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(3-propyltriazol-4-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(3-propyltriazol-4-yl)methanone is CCCn1nncc1C(=O)c1ccc(Br)o1.
What is the InChIKey of (5-bromofuran-2-yl)-(3-propyltriazol-4-yl)methanone?
The InChIKey is ONXIVAHBDPPRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-2-5-14-7(6-12-13-14)10(15)8-3-4-9(11)16-8/h3-4,6H,2,5H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-(3-propyltriazol-4-yl)methanone?
(5-bromofuran-2-yl)-(3-propyltriazol-4-yl)methanone has a molecular weight of 284.11 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(3-propyltriazol-4-yl)methanone is sourced from PubChem (CID 115802309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).