N-(4-methoxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

C16H17N5O3 — CID 46255790

IUPACN-(4-methoxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2c(C)nc3nc[nH]n3c2=O)cc1
InChIInChI=1S/C16H17N5O3/c1-10-13(15(23)21-16(19-10)17-9-18-21)7-8-14(22)20-11-3-5-12(24-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,20,22)(H,17,18,19)
InChIKeyPUPWROLTSJTPFQ-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.31
Rot. Bonds5

About N-(4-methoxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

N-(4-methoxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 46255790) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID46255790
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC NameN-(4-methoxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2c(C)nc3nc[nH]n3c2=O)cc1
InChIInChI=1S/C16H17N5O3/c1-10-13(15(23)21-16(19-10)17-9-18-21)7-8-14(22)20-11-3-5-12(24-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,20,22)(H,17,18,19)
InChIKeyPUPWROLTSJTPFQ-UHFFFAOYSA-N
XLogP1.31
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 46255790) is N-(4-methoxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is COc1ccc(NC(=O)CCc2c(C)nc3nc[nH]n3c2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is PUPWROLTSJTPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-10-13(15(23)21-16(19-10)17-9-18-21)7-8-14(22)20-11-3-5-12(24-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,20,22)(H,17,18,19).
What are the key properties of N-(4-methoxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-(4-methoxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 327.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 46255790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).