2-fluoro-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide

C20H16FN5O2 — CID 46268246

IUPAC2-fluoro-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide
SMILESCc1cc(=O)n2[nH]c(CN(C(=O)c3ccccc3F)c3ccccc3)nc2n1
InChIInChI=1S/C20H16FN5O2/c1-13-11-18(27)26-20(22-13)23-17(24-26)12-25(14-7-3-2-4-8-14)19(28)15-9-5-6-10-16(15)21/h2-11H,12H2,1H3,(H,22,23,24)
InChIKeyRWWIHBXNNDBBEA-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.71
Rot. Bonds4

About 2-fluoro-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide

2-fluoro-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide (PubChem CID 46268246) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 2-fluoro-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide
PubChem CID46268246
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name2-fluoro-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide
SMILESCc1cc(=O)n2[nH]c(CN(C(=O)c3ccccc3F)c3ccccc3)nc2n1
InChIInChI=1S/C20H16FN5O2/c1-13-11-18(27)26-20(22-13)23-17(24-26)12-25(14-7-3-2-4-8-14)19(28)15-9-5-6-10-16(15)21/h2-11H,12H2,1H3,(H,22,23,24)
InChIKeyRWWIHBXNNDBBEA-UHFFFAOYSA-N
XLogP2.71
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide
CID 50748910
3-chloro-N-(4-fluorophenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
CID 50748911
N-(4-ethoxyphenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
CID 50749255
4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)benzamide
CID 46268222
N-(4-chlorophenyl)-3-methyl-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]butanamide
CID 46268275
N-(4-ethoxyphenyl)-3-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
CID 50748964
N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-fluoro-N-(4-methylphenyl)benzamide
CID 50749183
3,4-dimethoxy-N-(2-methoxyphenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
CID 50748917
N-(2-methoxyphenyl)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 50748810
4-chloro-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)benzenesulfonamide
CID 46268281
3-[2-(2-fluorophenyl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one
CID 63768337
2-(3-aminopropyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455266

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide?
The IUPAC name of 2-fluoro-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide (CID 46268246) is 2-fluoro-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide?
The canonical SMILES for 2-fluoro-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide is Cc1cc(=O)n2[nH]c(CN(C(=O)c3ccccc3F)c3ccccc3)nc2n1.
What is the InChIKey of 2-fluoro-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide?
The InChIKey is RWWIHBXNNDBBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-13-11-18(27)26-20(22-13)23-17(24-26)12-25(14-7-3-2-4-8-14)19(28)15-9-5-6-10-16(15)21/h2-11H,12H2,1H3,(H,22,23,24).
What are the key properties of 2-fluoro-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide?
2-fluoro-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide has a molecular weight of 377.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide is sourced from PubChem (CID 46268246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).