(4-fluoro-5-phenyltriazol-1-yl)-(triazol-1-yl)methanone

C11H7FN6O — CID 91204155

IUPAC(4-fluoro-5-phenyltriazol-1-yl)-(triazol-1-yl)methanone
SMILESO=C(n1ccnn1)n1nnc(F)c1-c1ccccc1
InChIInChI=1S/C11H7FN6O/c12-10-9(8-4-2-1-3-5-8)18(16-14-10)11(19)17-7-6-13-15-17/h1-7H
InChIKeyRKWRQWUEFQHONM-UHFFFAOYSA-N
MW258.22 g/mol
LogP1.19
Rot. Bonds1

About (4-fluoro-5-phenyltriazol-1-yl)-(triazol-1-yl)methanone

(4-fluoro-5-phenyltriazol-1-yl)-(triazol-1-yl)methanone (PubChem CID 91204155) has the molecular formula C11H7FN6O and a molecular weight of 258.22 g/mol. Its IUPAC name is (4-fluoro-5-phenyltriazol-1-yl)-(triazol-1-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-5-phenyltriazol-1-yl)-(triazol-1-yl)methanone
PubChem CID91204155
Molecular FormulaC11H7FN6O
Molecular Weight258.22 g/mol
Exact Mass258.07
IUPAC Name(4-fluoro-5-phenyltriazol-1-yl)-(triazol-1-yl)methanone
SMILESO=C(n1ccnn1)n1nnc(F)c1-c1ccccc1
InChIInChI=1S/C11H7FN6O/c12-10-9(8-4-2-1-3-5-8)18(16-14-10)11(19)17-7-6-13-15-17/h1-7H
InChIKeyRKWRQWUEFQHONM-UHFFFAOYSA-N
XLogP1.19
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4,5-diphenyltriazol-1-yl)-(triazol-1-yl)methanone
CID 91155285
(4-fluoro-5-propan-2-yltriazol-1-yl)-(triazol-1-yl)methanone
CID 90939039
(5-benzyl-4-propan-2-yltriazol-1-yl)-(triazol-1-yl)methanone
CID 91052531
(4,5-ditert-butyltriazol-1-yl)-(triazol-1-yl)methanone
CID 91031356
(5-bromo-4-ethyltriazol-1-yl)-(triazol-1-yl)methanone
CID 91424998
N-benzyl-N-methyltriazole-1-carboxamide
CID 151801601
(4-chloro-5-nitrotriazol-1-yl)-(triazol-1-yl)methanone
CID 91476608
[4,5-bis(2-methylpropyl)triazol-1-yl]-(triazol-1-yl)methanone
CID 90997707
[4-(1,1,2,2,2-pentachloroethyl)-5-propyltriazol-1-yl]-(triazol-1-yl)methanone
CID 91289427
[5-chloro-4-(2-methylpropyl)triazol-1-yl]-(triazol-1-yl)methanone
CID 91594442
(5-butyl-4-methyltriazol-1-yl)-(triazol-1-yl)methanone
CID 90952379
(3-benzyl-4-ethyl-5-phenylpyrazol-1-yl)-pyrazol-1-ylmethanone
CID 69384966

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-5-phenyltriazol-1-yl)-(triazol-1-yl)methanone?
The IUPAC name of (4-fluoro-5-phenyltriazol-1-yl)-(triazol-1-yl)methanone (CID 91204155) is (4-fluoro-5-phenyltriazol-1-yl)-(triazol-1-yl)methanone.
What is the SMILES notation for (4-fluoro-5-phenyltriazol-1-yl)-(triazol-1-yl)methanone?
The canonical SMILES for (4-fluoro-5-phenyltriazol-1-yl)-(triazol-1-yl)methanone is O=C(n1ccnn1)n1nnc(F)c1-c1ccccc1.
What is the InChIKey of (4-fluoro-5-phenyltriazol-1-yl)-(triazol-1-yl)methanone?
The InChIKey is RKWRQWUEFQHONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN6O/c12-10-9(8-4-2-1-3-5-8)18(16-14-10)11(19)17-7-6-13-15-17/h1-7H.
What are the key properties of (4-fluoro-5-phenyltriazol-1-yl)-(triazol-1-yl)methanone?
(4-fluoro-5-phenyltriazol-1-yl)-(triazol-1-yl)methanone has a molecular weight of 258.22 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-5-phenyltriazol-1-yl)-(triazol-1-yl)methanone is sourced from PubChem (CID 91204155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).