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

C11H15FN6O — CID 69382461

IUPAC(3-fluoro-5-hexyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
SMILESCCCCCCc1nc(F)nn1C(=O)n1cncn1
InChIInChI=1S/C11H15FN6O/c1-2-3-4-5-6-9-15-10(12)16-18(9)11(19)17-8-13-7-14-17/h7-8H,2-6H2,1H3
InChIKeyIGLMMZDRJKBIIA-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.65
Rot. Bonds5

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

(3-fluoro-5-hexyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone (PubChem CID 69382461) has the molecular formula C11H15FN6O and a molecular weight of 266.28 g/mol. Its IUPAC name is (3-fluoro-5-hexyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-5-hexyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
PubChem CID69382461
Molecular FormulaC11H15FN6O
Molecular Weight266.28 g/mol
Exact Mass266.13
IUPAC Name(3-fluoro-5-hexyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
SMILESCCCCCCc1nc(F)nn1C(=O)n1cncn1
InChIInChI=1S/C11H15FN6O/c1-2-3-4-5-6-9-15-10(12)16-18(9)11(19)17-8-13-7-14-17/h7-8H,2-6H2,1H3
InChIKeyIGLMMZDRJKBIIA-UHFFFAOYSA-N
XLogP1.65
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

[5-(2-Methylpropyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 69381122
(5-Fluoro-3-methyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 69381134
[5-(2,2-Dimethylpropyl)-3-fluoro-1,2,4-triazol-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 69381567
(3-Fluoro-5-propan-2-yl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 69381734
[5-Pentyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 69381830
(5-Fluoro-3-propan-2-yl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 69381856
[3-Ethyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 69381875
[3-Pentyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 69382046
(3-Fluoro-5-propyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 69382248
(3-Butyl-5-fluoro-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 69382274
[3-(2,2-Dimethylpropyl)-5-(trifluoromethyl)-1,2,4-triazol-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 69382391
[5-Propan-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 69382626

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-hexyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone?
The IUPAC name of (3-fluoro-5-hexyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone (CID 69382461) is (3-fluoro-5-hexyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone.
What is the SMILES notation for (3-fluoro-5-hexyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone?
The canonical SMILES for (3-fluoro-5-hexyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone is CCCCCCc1nc(F)nn1C(=O)n1cncn1.
What is the InChIKey of (3-fluoro-5-hexyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone?
The InChIKey is IGLMMZDRJKBIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN6O/c1-2-3-4-5-6-9-15-10(12)16-18(9)11(19)17-8-13-7-14-17/h7-8H,2-6H2,1H3.
What are the key properties of (3-fluoro-5-hexyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone?
(3-fluoro-5-hexyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone has a molecular weight of 266.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-hexyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone is sourced from PubChem (CID 69382461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).