(3-fluoro-5-propyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone

C8H9FN6O — CID 69382248

IUPAC(3-fluoro-5-propyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
SMILESCCCc1nc(F)nn1C(=O)n1cncn1
InChIInChI=1S/C8H9FN6O/c1-2-3-6-12-7(9)13-15(6)8(16)14-5-10-4-11-14/h4-5H,2-3H2,1H3
InChIKeyQWFPWBONXQAGNT-UHFFFAOYSA-N
MW224.20 g/mol
LogP0.48
Rot. Bonds2

About (3-fluoro-5-propyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone

(3-fluoro-5-propyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone (PubChem CID 69382248) has the molecular formula C8H9FN6O and a molecular weight of 224.20 g/mol. Its IUPAC name is (3-fluoro-5-propyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-5-propyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
PubChem CID69382248
Molecular FormulaC8H9FN6O
Molecular Weight224.20 g/mol
Exact Mass224.08
IUPAC Name(3-fluoro-5-propyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
SMILESCCCc1nc(F)nn1C(=O)n1cncn1
InChIInChI=1S/C8H9FN6O/c1-2-3-6-12-7(9)13-15(6)8(16)14-5-10-4-11-14/h4-5H,2-3H2,1H3
InChIKeyQWFPWBONXQAGNT-UHFFFAOYSA-N
XLogP0.48
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-propyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone?
The IUPAC name of (3-fluoro-5-propyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone (CID 69382248) is (3-fluoro-5-propyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone.
What is the SMILES notation for (3-fluoro-5-propyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone?
The canonical SMILES for (3-fluoro-5-propyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone is CCCc1nc(F)nn1C(=O)n1cncn1.
What is the InChIKey of (3-fluoro-5-propyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone?
The InChIKey is QWFPWBONXQAGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN6O/c1-2-3-6-12-7(9)13-15(6)8(16)14-5-10-4-11-14/h4-5H,2-3H2,1H3.
What are the key properties of (3-fluoro-5-propyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone?
(3-fluoro-5-propyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone has a molecular weight of 224.20 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-propyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone is sourced from PubChem (CID 69382248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).