N-(3-chloro-4-methoxyphenyl)-2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)acetamide

C15H15ClN6O3 — CID 39890937

IUPACN-(3-chloro-4-methoxyphenyl)-2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nnc3c(C)n(C)nc3c2=O)cc1Cl
InChIInChI=1S/C15H15ClN6O3/c1-8-13-14(19-21(8)2)15(24)22(20-18-13)7-12(23)17-9-4-5-11(25-3)10(16)6-9/h4-6H,7H2,1-3H3,(H,17,23)
InChIKeyHWYURSDLXYMSJJ-UHFFFAOYSA-N
MW362.78 g/mol
LogP1.13
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)acetamide (PubChem CID 39890937) has the molecular formula C15H15ClN6O3 and a molecular weight of 362.78 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)acetamide
PubChem CID39890937
Molecular FormulaC15H15ClN6O3
Molecular Weight362.78 g/mol
Exact Mass362.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nnc3c(C)n(C)nc3c2=O)cc1Cl
InChIInChI=1S/C15H15ClN6O3/c1-8-13-14(19-21(8)2)15(24)22(20-18-13)7-12(23)17-9-4-5-11(25-3)10(16)6-9/h4-6H,7H2,1-3H3,(H,17,23)
InChIKeyHWYURSDLXYMSJJ-UHFFFAOYSA-N
XLogP1.13
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.78
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-(4-ethoxyphenyl)acetamide
CID 39890776
N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 4805380
2-(5-tert-butyltetrazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 60548379
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 4571026
N-(2,5-dichlorophenyl)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-5-methyltriazole-4-carboxamide
CID 53335205
2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 112521508
N-(3-chloro-4-methylphenyl)-2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906416
N-(3-chloro-4-methoxyphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634847
1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 53335252
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
N-(3,4-dimethoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869384

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)acetamide (CID 39890937) is N-(3-chloro-4-methoxyphenyl)-2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)acetamide is COc1ccc(NC(=O)Cn2nnc3c(C)n(C)nc3c2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)acetamide?
The InChIKey is HWYURSDLXYMSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O3/c1-8-13-14(19-21(8)2)15(24)22(20-18-13)7-12(23)17-9-4-5-11(25-3)10(16)6-9/h4-6H,7H2,1-3H3,(H,17,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)acetamide has a molecular weight of 362.78 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)acetamide is sourced from PubChem (CID 39890937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).