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

C16H17N5O3 — CID 135519706

IUPACN-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide
SMILESCOc1ccc(-c2nc3[nH]c(=O)cc(NC(=O)C(C)C)n3n2)cc1
InChIInChI=1S/C16H17N5O3/c1-9(2)15(23)17-12-8-13(22)18-16-19-14(20-21(12)16)10-4-6-11(24-3)7-5-10/h4-9H,1-3H3,(H,17,23)(H,18,19,20,22)
InChIKeyDTCXZRAARBDGGQ-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.69
Rot. Bonds4

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

N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide (PubChem CID 135519706) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide
PubChem CID135519706
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC NameN-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide
SMILESCOc1ccc(-c2nc3[nH]c(=O)cc(NC(=O)C(C)C)n3n2)cc1
InChIInChI=1S/C16H17N5O3/c1-9(2)15(23)17-12-8-13(22)18-16-19-14(20-21(12)16)10-4-6-11(24-3)7-5-10/h4-9H,1-3H3,(H,17,23)(H,18,19,20,22)
InChIKeyDTCXZRAARBDGGQ-UHFFFAOYSA-N
XLogP1.69
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylbenzamide
CID 135520756
N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-phenylpropanamide
CID 135448562
3,4,5-trimethoxy-N-[2-(4-methylphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
CID 135400173
N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
CID 135400147
4-tert-butyl-N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135456277
N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-methylbutanamide
CID 135532027
3-bromo-N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135400078
N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenoxypropanamide
CID 135532049
3,4,5-trimethoxy-N-(2-methyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135520809
N-(2-butyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135400104
N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
CID 135520836
4-tert-butyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135520813

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide (CID 135519706) is N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide is COc1ccc(-c2nc3[nH]c(=O)cc(NC(=O)C(C)C)n3n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide?
The InChIKey is DTCXZRAARBDGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-9(2)15(23)17-12-8-13(22)18-16-19-14(20-21(12)16)10-4-6-11(24-3)7-5-10/h4-9H,1-3H3,(H,17,23)(H,18,19,20,22).
What are the key properties of N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide?
N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide has a molecular weight of 327.34 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide is sourced from PubChem (CID 135519706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).