2-(2,4-dichlorophenyl)-5-methyl-7-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C20H17Cl2N5O — CID 135776293

IUPAC2-(2,4-dichlorophenyl)-5-methyl-7-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(N)=O)C(c2cccc(C)c2)n2nc(-c3ccc(Cl)cc3Cl)nc2N1
InChIInChI=1S/C20H17Cl2N5O/c1-10-4-3-5-12(8-10)17-16(18(23)28)11(2)24-20-25-19(26-27(17)20)14-7-6-13(21)9-15(14)22/h3-9,17H,1-2H3,(H2,23,28)(H,24,25,26)
InChIKeyVJQAUQYWKQWKLF-UHFFFAOYSA-N
MW414.30 g/mol
LogP4.33
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-5-methyl-7-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

2-(2,4-dichlorophenyl)-5-methyl-7-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135776293) has the molecular formula C20H17Cl2N5O and a molecular weight of 414.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-methyl-7-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-methyl-7-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135776293
Molecular FormulaC20H17Cl2N5O
Molecular Weight414.30 g/mol
Exact Mass413.08
IUPAC Name2-(2,4-dichlorophenyl)-5-methyl-7-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(N)=O)C(c2cccc(C)c2)n2nc(-c3ccc(Cl)cc3Cl)nc2N1
InChIInChI=1S/C20H17Cl2N5O/c1-10-4-3-5-12(8-10)17-16(18(23)28)11(2)24-20-25-19(26-27(17)20)14-7-6-13(21)9-15(14)22/h3-9,17H,1-2H3,(H2,23,28)(H,24,25,26)
InChIKeyVJQAUQYWKQWKLF-UHFFFAOYSA-N
XLogP4.33
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-2-(2-chlorophenyl)-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 1181601
(7S)-7-(3-bromophenyl)-2-(2-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 1181572
2-(4-tert-butylphenyl)-5-methyl-7-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135760939
(7S)-2-(3-chlorophenyl)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135744409
(7R)-2-(3-chlorophenyl)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135744410
2-(2,4-dichlorophenyl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135765772
(7R)-7-(4-bromophenyl)-2-(2-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 1181569
(7R)-2-(2-chlorophenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 1181575
2-(2-chlorophenyl)-5-methyl-7-pyridin-1-ium-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3701921
2-(4-chlorophenyl)-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135698568
(7R)-2-(3-chlorophenyl)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136711257
(7R)-2-(3-chlorophenyl)-7-(4-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136711283

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-methyl-7-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-methyl-7-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135776293) is 2-(2,4-dichlorophenyl)-5-methyl-7-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-methyl-7-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-methyl-7-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(N)=O)C(c2cccc(C)c2)n2nc(-c3ccc(Cl)cc3Cl)nc2N1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-methyl-7-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is VJQAUQYWKQWKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N5O/c1-10-4-3-5-12(8-10)17-16(18(23)28)11(2)24-20-25-19(26-27(17)20)14-7-6-13(21)9-15(14)22/h3-9,17H,1-2H3,(H2,23,28)(H,24,25,26).
What are the key properties of 2-(2,4-dichlorophenyl)-5-methyl-7-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
2-(2,4-dichlorophenyl)-5-methyl-7-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 414.30 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-methyl-7-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135776293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).