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

C10H10BrN3O2 — CID 106856778

IUPAC(2-bromofuran-3-yl)-(3-propyltriazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)c1ccoc1Br
InChIInChI=1S/C10H10BrN3O2/c1-2-4-14-8(6-12-13-14)9(15)7-3-5-16-10(7)11/h3,5-6H,2,4H2,1H3
InChIKeyFGYHPRKHQVEERC-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.27
Rot. Bonds4

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

(2-bromofuran-3-yl)-(3-propyltriazol-4-yl)methanone (PubChem CID 106856778) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(3-propyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(3-propyltriazol-4-yl)methanone
PubChem CID106856778
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name(2-bromofuran-3-yl)-(3-propyltriazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)c1ccoc1Br
InChIInChI=1S/C10H10BrN3O2/c1-2-4-14-8(6-12-13-14)9(15)7-3-5-16-10(7)11/h3,5-6H,2,4H2,1H3
InChIKeyFGYHPRKHQVEERC-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 (2-bromofuran-3-yl)-(3-propyltriazol-4-yl)methanone?
The IUPAC name of (2-bromofuran-3-yl)-(3-propyltriazol-4-yl)methanone (CID 106856778) is (2-bromofuran-3-yl)-(3-propyltriazol-4-yl)methanone.
What is the SMILES notation for (2-bromofuran-3-yl)-(3-propyltriazol-4-yl)methanone?
The canonical SMILES for (2-bromofuran-3-yl)-(3-propyltriazol-4-yl)methanone is CCCn1nncc1C(=O)c1ccoc1Br.
What is the InChIKey of (2-bromofuran-3-yl)-(3-propyltriazol-4-yl)methanone?
The InChIKey is FGYHPRKHQVEERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-2-4-14-8(6-12-13-14)9(15)7-3-5-16-10(7)11/h3,5-6H,2,4H2,1H3.
What are the key properties of (2-bromofuran-3-yl)-(3-propyltriazol-4-yl)methanone?
(2-bromofuran-3-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 (2-bromofuran-3-yl)-(3-propyltriazol-4-yl)methanone is sourced from PubChem (CID 106856778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).