N-(3-fluorophenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C19H16FN5 — CID 22575553

IUPACN-(3-fluorophenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(-c2nc3nc(C)cc(Nc4cccc(F)c4)n3n2)cc1
InChIInChI=1S/C19H16FN5/c1-12-6-8-14(9-7-12)18-23-19-21-13(2)10-17(25(19)24-18)22-16-5-3-4-15(20)11-16/h3-11,22H,1-2H3
InChIKeyJWCRDYAXVMJFNQ-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.29
Rot. Bonds3

About N-(3-fluorophenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(3-fluorophenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 22575553) has the molecular formula C19H16FN5 and a molecular weight of 333.37 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID22575553
Molecular FormulaC19H16FN5
Molecular Weight333.37 g/mol
Exact Mass333.14
IUPAC NameN-(3-fluorophenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(-c2nc3nc(C)cc(Nc4cccc(F)c4)n3n2)cc1
InChIInChI=1S/C19H16FN5/c1-12-6-8-14(9-7-12)18-23-19-21-13(2)10-17(25(19)24-18)22-16-5-3-4-15(20)11-16/h3-11,22H,1-2H3
InChIKeyJWCRDYAXVMJFNQ-UHFFFAOYSA-N
XLogP4.29
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608472
1-[3-[(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]ethanone
CID 23608422
5-methyl-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22575555
5-methyl-2-(2-methylphenyl)-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608624
N-(2,4-dimethylphenyl)-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608669
N-(4-fluorophenyl)-5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608616
2-(4-tert-butylphenyl)-N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608518
4-N,4-N-dimethyl-1-N-[5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzene-1,4-diamine
CID 23608663
2-(4-tert-butylphenyl)-N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608530
2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71079216
2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608497
(2-fluorophenyl)-[4-[4-[[5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]piperazin-1-yl]methanone
CID 22433767

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-fluorophenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 22575553) is N-(3-fluorophenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-fluorophenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-fluorophenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1ccc(-c2nc3nc(C)cc(Nc4cccc(F)c4)n3n2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JWCRDYAXVMJFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5/c1-12-6-8-14(9-7-12)18-23-19-21-13(2)10-17(25(19)24-18)22-16-5-3-4-15(20)11-16/h3-11,22H,1-2H3.
What are the key properties of N-(3-fluorophenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(3-fluorophenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 333.37 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 22575553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).