(2-methyl-1,2,4-triazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone

C10H7F3N4O — CID 112744196

IUPAC(2-methyl-1,2,4-triazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCn1ncnc1C(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H7F3N4O/c1-17-9(15-5-16-17)8(18)7-3-2-6(4-14-7)10(11,12)13/h2-5H,1H3
InChIKeyPLXBFRUDSHUYIB-UHFFFAOYSA-N
MW256.19 g/mol
LogP1.46
Rot. Bonds2

About (2-methyl-1,2,4-triazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone

(2-methyl-1,2,4-triazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 112744196) has the molecular formula C10H7F3N4O and a molecular weight of 256.19 g/mol. Its IUPAC name is (2-methyl-1,2,4-triazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-methyl-1,2,4-triazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID112744196
Molecular FormulaC10H7F3N4O
Molecular Weight256.19 g/mol
Exact Mass256.06
IUPAC Name(2-methyl-1,2,4-triazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCn1ncnc1C(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H7F3N4O/c1-17-9(15-5-16-17)8(18)7-3-2-6(4-14-7)10(11,12)13/h2-5H,1H3
InChIKeyPLXBFRUDSHUYIB-UHFFFAOYSA-N
XLogP1.46
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylimidazol-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105101077
2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 105076540
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105130663
(4-ethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105085929
(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115577232
[5-fluoro-2-(trifluoromethyl)phenyl]-(2-methyl-1,2,4-triazol-3-yl)methanone
CID 112743931
furan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105099277
(3-bromofuran-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105101646
(3-fluoro-4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105097287
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-one
CID 105129813
[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 90399283
2-propan-2-yloxy-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 105117081

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,2,4-triazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of (2-methyl-1,2,4-triazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone (CID 112744196) is (2-methyl-1,2,4-triazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (2-methyl-1,2,4-triazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for (2-methyl-1,2,4-triazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone is Cn1ncnc1C(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of (2-methyl-1,2,4-triazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is PLXBFRUDSHUYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O/c1-17-9(15-5-16-17)8(18)7-3-2-6(4-14-7)10(11,12)13/h2-5H,1H3.
What are the key properties of (2-methyl-1,2,4-triazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
(2-methyl-1,2,4-triazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 256.19 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,2,4-triazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 112744196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).