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

C12H10FN5O2 — CID 2985272

IUPACN-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C1CC(C(=O)Nc2cccc(F)c2)n2ncnc2N1
InChIInChI=1S/C12H10FN5O2/c13-7-2-1-3-8(4-7)16-11(20)9-5-10(19)17-12-14-6-15-18(9)12/h1-4,6,9H,5H2,(H,16,20)(H,14,15,17,19)
InChIKeyDRVQDMGVFQLRRH-UHFFFAOYSA-N
MW275.24 g/mol
LogP0.94
Rot. Bonds2

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

N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 2985272) has the molecular formula C12H10FN5O2 and a molecular weight of 275.24 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID2985272
Molecular FormulaC12H10FN5O2
Molecular Weight275.24 g/mol
Exact Mass275.08
IUPAC NameN-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C1CC(C(=O)Nc2cccc(F)c2)n2ncnc2N1
InChIInChI=1S/C12H10FN5O2/c13-7-2-1-3-8(4-7)16-11(20)9-5-10(19)17-12-14-6-15-18(9)12/h1-4,6,9H,5H2,(H,16,20)(H,14,15,17,19)
InChIKeyDRVQDMGVFQLRRH-UHFFFAOYSA-N
XLogP0.94
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide
CID 2959882
N-(4-fluorophenyl)-7-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide
CID 4976594
N-(3,5-dimethylphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 2980588
N-(2,5-dichlorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 2986969
N-(3-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 3271396
N-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4688406
N-(4-fluorophenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 4886256
N-(3,4-dimethylphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 4887374
1-(4-fluorophenyl)-4-{1-[3-(1H-1,2,4-triazol-1-yl)propanoyl]-3-piperidinyl}piperazine
CID 24817494
1-[4-(4-fluorophenyl)piperazino]-2-(1H-1,2,4-triazol-1-yl)-1-ethanone
CID 4304418
N-(3-methylphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 4891890
N-(2-methylphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 4896840

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 2985272) is N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is O=C1CC(C(=O)Nc2cccc(F)c2)n2ncnc2N1.
What is the InChIKey of N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is DRVQDMGVFQLRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O2/c13-7-2-1-3-8(4-7)16-11(20)9-5-10(19)17-12-14-6-15-18(9)12/h1-4,6,9H,5H2,(H,16,20)(H,14,15,17,19).
What are the key properties of N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 275.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 2985272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).