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

C14H15N5O3 — CID 135629982

IUPACN-(3-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCOc1cccc(NC(=O)CC2Cn3ncnc3NC2=O)c1
InChIInChI=1S/C14H15N5O3/c1-22-11-4-2-3-10(6-11)17-12(20)5-9-7-19-14(15-8-16-19)18-13(9)21/h2-4,6,8-9H,5,7H2,1H3,(H,17,20)(H,15,16,18,21)
InChIKeyCWOLKXBHSBPNEC-UHFFFAOYSA-N
MW301.31 g/mol
LogP0.88
Rot. Bonds4

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

N-(3-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 135629982) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID135629982
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC NameN-(3-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCOc1cccc(NC(=O)CC2Cn3ncnc3NC2=O)c1
InChIInChI=1S/C14H15N5O3/c1-22-11-4-2-3-10(6-11)17-12(20)5-9-7-19-14(15-8-16-19)18-13(9)21/h2-4,6,8-9H,5,7H2,1H3,(H,17,20)(H,15,16,18,21)
InChIKeyCWOLKXBHSBPNEC-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

N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide
CID 661822
N-(2-ethoxyphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 2981350
N-(3,4-dimethoxyphenyl)-1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-3-piperidinamine
CID 24793855
N-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 4887865
N-(2,5-dimethoxyphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 2969500
2-(5-oxo-5,6-dihydro-4H-imidazo[1,2-b][1,2,4]triazol-6-yl)-N-(3-(trifluoromethoxy)phenyl)acetamide
CID 135635986
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
N-(3-methoxyphenyl)-3-{1-[2-(1H-1,2,4-triazol-1-yl)propanoyl]-4-piperidinyl}propanamide
CID 45194693
N-(3-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135642826
N-(4-methoxyphenyl)-2-(5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 135636872
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 32739728

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 135629982) is N-(3-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-(3-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is COc1cccc(NC(=O)CC2Cn3ncnc3NC2=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is CWOLKXBHSBPNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-22-11-4-2-3-10(6-11)17-12(20)5-9-7-19-14(15-8-16-19)18-13(9)21/h2-4,6,8-9H,5,7H2,1H3,(H,17,20)(H,15,16,18,21).
What are the key properties of N-(3-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-(3-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-(3-methoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 135629982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).