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

C14H15N5O3 — CID 135636872

IUPACN-(4-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCOc1ccc(NC(=O)CC2Cn3ncnc3NC2=O)cc1
InChIInChI=1S/C14H15N5O3/c1-22-11-4-2-10(3-5-11)17-12(20)6-9-7-19-14(15-8-16-19)18-13(9)21/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,15,16,18,21)
InChIKeyRAZBQSMHMCKEHX-UHFFFAOYSA-N
MW301.31 g/mol
LogP0.88
Rot. Bonds4

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

N-(4-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 135636872) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID135636872
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC NameN-(4-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCOc1ccc(NC(=O)CC2Cn3ncnc3NC2=O)cc1
InChIInChI=1S/C14H15N5O3/c1-22-11-4-2-10(3-5-11)17-12(20)6-9-7-19-14(15-8-16-19)18-13(9)21/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,15,16,18,21)
InChIKeyRAZBQSMHMCKEHX-UHFFFAOYSA-N
XLogP0.88
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-methoxyphenyl)piperazino]-2-(1H-1,2,4-triazol-1-yl)-1-ethanone
CID 1474447
N-(2-ethoxyphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 2981350
N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide
CID 3823499
N-(4-methoxyphenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 5297255
N-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 4887865
N-(3-methoxyphenyl)-2-(5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 135629982
1-[3-(4-Methoxyanilino)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 24790754
N-(4-ethoxyphenyl)-3-(1H-1,2,4-triazol-1-yl)propanamide
CID 8722036
3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)butanamide
CID 15943634
N-(4-methoxyphenyl)-2-methyl-3-(1H-1,2,4-triazol-1-yl)propanamide
CID 16004409
N-(4-ethoxyphenyl)-2-methyl-3-(1H-1,2,4-triazol-1-yl)propanamide
CID 16004410
3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)-2-methylpropanamide
CID 16877057

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 135636872) is N-(4-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is COc1ccc(NC(=O)CC2Cn3ncnc3NC2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is RAZBQSMHMCKEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-22-11-4-2-10(3-5-11)17-12(20)6-9-7-19-14(15-8-16-19)18-13(9)21/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,15,16,18,21).
What are the key properties of N-(4-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-(4-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 301.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 135636872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).