4-(4-methylphenyl)-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide

C23H25N5O — CID 177375936

IUPAC4-(4-methylphenyl)-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
SMILESCC1=CC(c2ccccc2)n2nc(NC(=O)CCCc3ccc(C)cc3)nc2N1
InChIInChI=1S/C23H25N5O/c1-16-11-13-18(14-12-16)7-6-10-21(29)25-22-26-23-24-17(2)15-20(28(23)27-22)19-8-4-3-5-9-19/h3-5,8-9,11-15,20H,6-7,10H2,1-2H3,(H2,24,25,26,27,29)
InChIKeyRFRAGSWBWSOELF-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.47
Rot. Bonds6

About 4-(4-methylphenyl)-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide

4-(4-methylphenyl)-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide (PubChem CID 177375936) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
PubChem CID177375936
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name4-(4-methylphenyl)-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
SMILESCC1=CC(c2ccccc2)n2nc(NC(=O)CCCc3ccc(C)cc3)nc2N1
InChIInChI=1S/C23H25N5O/c1-16-11-13-18(14-12-16)7-6-10-21(29)25-22-26-23-24-17(2)15-20(28(23)27-22)19-8-4-3-5-9-19/h3-5,8-9,11-15,20H,6-7,10H2,1-2H3,(H2,24,25,26,27,29)
InChIKeyRFRAGSWBWSOELF-UHFFFAOYSA-N
XLogP4.47
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 2792439
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CID 664858
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CID 2921551
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CID 3796013
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CID 4384576
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CID 5198984
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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide?
The IUPAC name of 4-(4-methylphenyl)-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide (CID 177375936) is 4-(4-methylphenyl)-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide?
The canonical SMILES for 4-(4-methylphenyl)-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide is CC1=CC(c2ccccc2)n2nc(NC(=O)CCCc3ccc(C)cc3)nc2N1.
What is the InChIKey of 4-(4-methylphenyl)-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide?
The InChIKey is RFRAGSWBWSOELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-16-11-13-18(14-12-16)7-6-10-21(29)25-22-26-23-24-17(2)15-20(28(23)27-22)19-8-4-3-5-9-19/h3-5,8-9,11-15,20H,6-7,10H2,1-2H3,(H2,24,25,26,27,29).
What are the key properties of 4-(4-methylphenyl)-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide?
4-(4-methylphenyl)-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide has a molecular weight of 387.49 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide is sourced from PubChem (CID 177375936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).