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

C15H15N5O3 — CID 42569443

IUPACN-(4-hydroxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2nc[nH]n2c(=O)c1CCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C15H15N5O3/c1-9-12(14(23)20-15(18-9)16-8-17-20)6-7-13(22)19-10-2-4-11(21)5-3-10/h2-5,8,21H,6-7H2,1H3,(H,19,22)(H,16,17,18)
InChIKeyPIWNMKLDCTZTOD-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.00
Rot. Bonds4

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

N-(4-hydroxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 42569443) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID42569443
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC NameN-(4-hydroxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2nc[nH]n2c(=O)c1CCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C15H15N5O3/c1-9-12(14(23)20-15(18-9)16-8-17-20)6-7-13(22)19-10-2-4-11(21)5-3-10/h2-5,8,21H,6-7H2,1H3,(H,19,22)(H,16,17,18)
InChIKeyPIWNMKLDCTZTOD-UHFFFAOYSA-N
XLogP1.00
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

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N-(4-methoxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 46255790
3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[3-(phenylcarbamoylamino)phenyl]methyl]propanamide
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3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenylpropyl)propanamide
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N-(1,2-diphenylethyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 154857907
N-(1-hydroxy-3-phenylpropan-2-yl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 91641148
methyl (2S)-2-[3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-3-phenylpropanoate
CID 91640715
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 92612949
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 46979007
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CID 20863583

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-(4-hydroxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 42569443) is N-(4-hydroxyphenyl)-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-hydroxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(4-hydroxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1nc2nc[nH]n2c(=O)c1CCC(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is PIWNMKLDCTZTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-9-12(14(23)20-15(18-9)16-8-17-20)6-7-13(22)19-10-2-4-11(21)5-3-10/h2-5,8,21H,6-7H2,1H3,(H,19,22)(H,16,17,18).
What are the key properties of N-(4-hydroxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-(4-hydroxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 313.32 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 42569443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).