7-[4-(diethylamino)phenyl]-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C24H28N6O — CID 135410509

IUPAC7-[4-(diethylamino)phenyl]-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCN(CC)c1ccc(C2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1
InChIInChI=1S/C24H28N6O/c1-5-29(6-2)19-13-11-18(12-14-19)22-21(17(4)27-24-25-15-26-30(22)24)23(31)28-20-10-8-7-9-16(20)3/h7-15,22H,5-6H2,1-4H3,(H,28,31)(H,25,26,27)
InChIKeyGCRQBEYROUHCFD-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.36
Rot. Bonds6

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

7-[4-(diethylamino)phenyl]-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135410509) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 7-[4-(diethylamino)phenyl]-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-[4-(diethylamino)phenyl]-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135410509
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name7-[4-(diethylamino)phenyl]-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCN(CC)c1ccc(C2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1
InChIInChI=1S/C24H28N6O/c1-5-29(6-2)19-13-11-18(12-14-19)22-21(17(4)27-24-25-15-26-30(22)24)23(31)28-20-10-8-7-9-16(20)3/h7-15,22H,5-6H2,1-4H3,(H,28,31)(H,25,26,27)
InChIKeyGCRQBEYROUHCFD-UHFFFAOYSA-N
XLogP4.36
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-N'-[1-(3-methylbenzyl)-1H-1,2,4-triazol-3-yl]urea
CID 2207551
5-Methyl-7-(2-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 2792755
2-(Benzylsulfanyl)-7-[4-(diethylamino)phenyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 5123164
2-[(S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidin-2-yl]-N-(2-[1,2,4]triazol-1-yl-benzyl)-acetamide
CID 44332921
N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 54758312
3-(4-anilinophenyl)-N,2,2-trimethyl-3-(1,2,4-triazol-1-yl)propanamide
CID 71461338
2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-propan-2-ylbenzamide
CID 71813145
N-(5-chloro-2-methylphenyl)-7-(2-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135410515
N-(2,4-Dimethylphenyl)-5-methyl-7-[4-(propan-2-YL)phenyl]-2-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135416453
N-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 9120296
4-(dimethylamino)-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide
CID 13588891
7-(4-Chlorophenyl)-5-methyl-N-(4-methylphenyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-A]pyrimidine-6-carboxamide
CID 4145589

Frequently Asked Questions

What is the IUPAC name of 7-[4-(diethylamino)phenyl]-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-[4-(diethylamino)phenyl]-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135410509) is 7-[4-(diethylamino)phenyl]-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-[4-(diethylamino)phenyl]-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-[4-(diethylamino)phenyl]-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCN(CC)c1ccc(C2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1.
What is the InChIKey of 7-[4-(diethylamino)phenyl]-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is GCRQBEYROUHCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-5-29(6-2)19-13-11-18(12-14-19)22-21(17(4)27-24-25-15-26-30(22)24)23(31)28-20-10-8-7-9-16(20)3/h7-15,22H,5-6H2,1-4H3,(H,28,31)(H,25,26,27).
What are the key properties of 7-[4-(diethylamino)phenyl]-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-[4-(diethylamino)phenyl]-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(diethylamino)phenyl]-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135410509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).