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

C10H10ClN3O2 — CID 106691278

IUPAC(2-chlorofuran-3-yl)-(3-propyltriazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)c1ccoc1Cl
InChIInChI=1S/C10H10ClN3O2/c1-2-4-14-8(6-12-13-14)9(15)7-3-5-16-10(7)11/h3,5-6H,2,4H2,1H3
InChIKeyQHMAOEAQKHMAGL-UHFFFAOYSA-N
MW239.66 g/mol
LogP2.17
Rot. Bonds4

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

(2-chlorofuran-3-yl)-(3-propyltriazol-4-yl)methanone (PubChem CID 106691278) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(3-propyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(3-propyltriazol-4-yl)methanone
PubChem CID106691278
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name(2-chlorofuran-3-yl)-(3-propyltriazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)c1ccoc1Cl
InChIInChI=1S/C10H10ClN3O2/c1-2-4-14-8(6-12-13-14)9(15)7-3-5-16-10(7)11/h3,5-6H,2,4H2,1H3
InChIKeyQHMAOEAQKHMAGL-UHFFFAOYSA-N
XLogP2.17
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 5276264
CID 5276264
CID 105726223
CID 105726223
CID 105726236
CID 105726236
CID 106691010
CID 106691010
CID 106691012
CID 106691012
CID 106691014
CID 106691014
CID 106691020
CID 106691020
CID 106691245
CID 106691245
CID 106691249
CID 106691249
CID 106691299
CID 106691299
CID 106691300
CID 106691300
CID 106691385
CID 106691385

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(3-propyltriazol-4-yl)methanone?
The IUPAC name of (2-chlorofuran-3-yl)-(3-propyltriazol-4-yl)methanone (CID 106691278) is (2-chlorofuran-3-yl)-(3-propyltriazol-4-yl)methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-(3-propyltriazol-4-yl)methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-(3-propyltriazol-4-yl)methanone is CCCn1nncc1C(=O)c1ccoc1Cl.
What is the InChIKey of (2-chlorofuran-3-yl)-(3-propyltriazol-4-yl)methanone?
The InChIKey is QHMAOEAQKHMAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/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-chlorofuran-3-yl)-(3-propyltriazol-4-yl)methanone?
(2-chlorofuran-3-yl)-(3-propyltriazol-4-yl)methanone has a molecular weight of 239.66 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-(3-propyltriazol-4-yl)methanone is sourced from PubChem (CID 106691278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).