(7R)-5-oxo-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

C13H10F3N5O3 — CID 135601549

IUPAC(7R)-5-oxo-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C1C[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)n2ncnc2N1
InChIInChI=1S/C13H10F3N5O3/c14-13(15,16)24-8-3-1-2-7(4-8)19-11(23)9-5-10(22)20-12-17-6-18-21(9)12/h1-4,6,9H,5H2,(H,19,23)(H,17,18,20,22)/t9-/m1/s1
InChIKeyCNNWYGUCETWWAJ-SECBINFHSA-N
MW341.25 g/mol
LogP1.70
Rot. Bonds3

About (7R)-5-oxo-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

(7R)-5-oxo-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135601549) has the molecular formula C13H10F3N5O3 and a molecular weight of 341.25 g/mol. Its IUPAC name is (7R)-5-oxo-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name(7R)-5-oxo-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID135601549
Molecular FormulaC13H10F3N5O3
Molecular Weight341.25 g/mol
Exact Mass341.07
IUPAC Name(7R)-5-oxo-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C1C[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)n2ncnc2N1
InChIInChI=1S/C13H10F3N5O3/c14-13(15,16)24-8-3-1-2-7(4-8)19-11(23)9-5-10(22)20-12-17-6-18-21(9)12/h1-4,6,9H,5H2,(H,19,23)(H,17,18,20,22)/t9-/m1/s1
InChIKeyCNNWYGUCETWWAJ-SECBINFHSA-N
XLogP1.70
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(7R)-5-oxo-N-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 136892896
N-naphthalen-2-yl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135786455
N-(4-acetamidophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 3160703
(7S)-N-(3,5-dichlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135772020
N-(3-chloro-4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 3160981
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 2980428
N-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 2981207
(7R)-N-(2-ethoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135554889
(7R)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135938263
3-(4-fluorophenyl)-N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135654931
N-[3-(trifluoromethoxy)phenyl]-1,5-diazabicyclo[3.2.2]nonane-6-carboxamide
CID 75394664
(2R)-6-oxo-N-[3-(trifluoromethoxy)phenyl]piperazine-2-carboxamide
CID 142479947

Frequently Asked Questions

What is the IUPAC name of (7R)-5-oxo-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of (7R)-5-oxo-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 135601549) is (7R)-5-oxo-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for (7R)-5-oxo-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for (7R)-5-oxo-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is O=C1C[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)n2ncnc2N1.
What is the InChIKey of (7R)-5-oxo-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is CNNWYGUCETWWAJ-SECBINFHSA-N. The full InChI is InChI=1S/C13H10F3N5O3/c14-13(15,16)24-8-3-1-2-7(4-8)19-11(23)9-5-10(22)20-12-17-6-18-21(9)12/h1-4,6,9H,5H2,(H,19,23)(H,17,18,20,22)/t9-/m1/s1.
What are the key properties of (7R)-5-oxo-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
(7R)-5-oxo-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-oxo-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135601549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).