7-[2-(3-fluorophenyl)ethylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

C15H14FN5O2 — CID 167755807

IUPAC7-[2-(3-fluorophenyl)ethylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1cc(NCCc2cccc(F)c2)n2nc(C(=O)O)nc2n1
InChIInChI=1S/C15H14FN5O2/c1-9-7-12(17-6-5-10-3-2-4-11(16)8-10)21-15(18-9)19-13(20-21)14(22)23/h2-4,7-8,17H,5-6H2,1H3,(H,22,23)
InChIKeyNPUAOXVZYIEPNF-UHFFFAOYSA-N
MW315.31 g/mol
LogP1.92
Rot. Bonds5

About 7-[2-(3-fluorophenyl)ethylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

7-[2-(3-fluorophenyl)ethylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 167755807) has the molecular formula C15H14FN5O2 and a molecular weight of 315.31 g/mol. Its IUPAC name is 7-[2-(3-fluorophenyl)ethylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-[2-(3-fluorophenyl)ethylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID167755807
Molecular FormulaC15H14FN5O2
Molecular Weight315.31 g/mol
Exact Mass315.11
IUPAC Name7-[2-(3-fluorophenyl)ethylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1cc(NCCc2cccc(F)c2)n2nc(C(=O)O)nc2n1
InChIInChI=1S/C15H14FN5O2/c1-9-7-12(17-6-5-10-3-2-4-11(16)8-10)21-15(18-9)19-13(20-21)14(22)23/h2-4,7-8,17H,5-6H2,1H3,(H,22,23)
InChIKeyNPUAOXVZYIEPNF-UHFFFAOYSA-N
XLogP1.92
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[2-(3-fluorophenyl)ethylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid with MolForge

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Related Compounds

2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
CID 61003365
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 31956505
2-[2-(3-fluorophenyl)ethylamino]-4-methylbenzoic acid
CID 63511362
N-(4-bromophenyl)-2-[(3-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46352593
7-[3-(3-fluorophenyl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 166434094
2-bromo-6-[2-(3-fluorophenyl)ethylamino]benzoic acid
CID 114887893
2-benzylsulfanyl-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 12915212
6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 43566561
2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 80788066
N-(3-fluorophenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22575553
4-[2-(3-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 137015420
5-methyl-N-[2-(3-methyl-2-pyridinyl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 127265997

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-fluorophenyl)ethylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-[2-(3-fluorophenyl)ethylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 167755807) is 7-[2-(3-fluorophenyl)ethylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-[2-(3-fluorophenyl)ethylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-[2-(3-fluorophenyl)ethylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid is Cc1cc(NCCc2cccc(F)c2)n2nc(C(=O)O)nc2n1.
What is the InChIKey of 7-[2-(3-fluorophenyl)ethylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is NPUAOXVZYIEPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2/c1-9-7-12(17-6-5-10-3-2-4-11(16)8-10)21-15(18-9)19-13(20-21)14(22)23/h2-4,7-8,17H,5-6H2,1H3,(H,22,23).
What are the key properties of 7-[2-(3-fluorophenyl)ethylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-[2-(3-fluorophenyl)ethylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 315.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-fluorophenyl)ethylamino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 167755807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).