3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)-phenylmethyl]propanamide

C24H25N5O — CID 51184872

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
SMILESCc1ccc(C(NC(=O)CCc2c(C)nc3ncnn3c2C)c2ccccc2)cc1
InChIInChI=1S/C24H25N5O/c1-16-9-11-20(12-10-16)23(19-7-5-4-6-8-19)28-22(30)14-13-21-17(2)27-24-25-15-26-29(24)18(21)3/h4-12,15,23H,13-14H2,1-3H3,(H,28,30)
InChIKeyCRXWCFGOFJALHG-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.89
Rot. Bonds6

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)-phenylmethyl]propanamide

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)-phenylmethyl]propanamide (PubChem CID 51184872) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)-phenylmethyl]propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
PubChem CID51184872
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
SMILESCc1ccc(C(NC(=O)CCc2c(C)nc3ncnn3c2C)c2ccccc2)cc1
InChIInChI=1S/C24H25N5O/c1-16-9-11-20(12-10-16)23(19-7-5-4-6-8-19)28-22(30)14-13-21-17(2)27-24-25-15-26-29(24)18(21)3/h4-12,15,23H,13-14H2,1-3H3,(H,28,30)
InChIKeyCRXWCFGOFJALHG-UHFFFAOYSA-N
XLogP3.89
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)-phenylmethyl]propanamide with MolForge

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Related Compounds

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide
CID 20863535
4-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-4-phenylbutanoic acid
CID 119201392
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylpropanamide
CID 20863520
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-3-phenylbutyl]propanamide
CID 52508735
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-phenylphenyl)propanamide
CID 9404077
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]propanamide
CID 43026414
ethyl 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-3-phenylpropanoate
CID 3235921
N-[1-(3,4-difluorophenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 17496460
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 17426060
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 18110968
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-methyl-2-pyridinyl)propanamide
CID 3241346
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-hydroxyphenyl)propanamide
CID 51284456

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)-phenylmethyl]propanamide?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)-phenylmethyl]propanamide (CID 51184872) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)-phenylmethyl]propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)-phenylmethyl]propanamide?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)-phenylmethyl]propanamide is Cc1ccc(C(NC(=O)CCc2c(C)nc3ncnn3c2C)c2ccccc2)cc1.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)-phenylmethyl]propanamide?
The InChIKey is CRXWCFGOFJALHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-16-9-11-20(12-10-16)23(19-7-5-4-6-8-19)28-22(30)14-13-21-17(2)27-24-25-15-26-29(24)18(21)3/h4-12,15,23H,13-14H2,1-3H3,(H,28,30).
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)-phenylmethyl]propanamide?
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)-phenylmethyl]propanamide has a molecular weight of 399.50 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)-phenylmethyl]propanamide is sourced from PubChem (CID 51184872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).