5-ethyl-7-methyl-3-[(4-methylphenyl)methyl]pyrazolo[4,5-d]triazin-4-one

C15H17N5O — CID 75537806

IUPAC5-ethyl-7-methyl-3-[(4-methylphenyl)methyl]pyrazolo[4,5-d]triazin-4-one
SMILESCCn1nc(C)c2nnn(Cc3ccc(C)cc3)c(=O)c21
InChIInChI=1S/C15H17N5O/c1-4-19-14-13(11(3)17-19)16-18-20(15(14)21)9-12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3
InChIKeyGJPIZCHFKQWEGM-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.67
Rot. Bonds3

About 5-ethyl-7-methyl-3-[(4-methylphenyl)methyl]pyrazolo[4,5-d]triazin-4-one

5-ethyl-7-methyl-3-[(4-methylphenyl)methyl]pyrazolo[4,5-d]triazin-4-one (PubChem CID 75537806) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-ethyl-7-methyl-3-[(4-methylphenyl)methyl]pyrazolo[4,5-d]triazin-4-one.

Molecular Properties

Compound Name5-ethyl-7-methyl-3-[(4-methylphenyl)methyl]pyrazolo[4,5-d]triazin-4-one
PubChem CID75537806
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name5-ethyl-7-methyl-3-[(4-methylphenyl)methyl]pyrazolo[4,5-d]triazin-4-one
SMILESCCn1nc(C)c2nnn(Cc3ccc(C)cc3)c(=O)c21
InChIInChI=1S/C15H17N5O/c1-4-19-14-13(11(3)17-19)16-18-20(15(14)21)9-12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3
InChIKeyGJPIZCHFKQWEGM-UHFFFAOYSA-N
XLogP1.67
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2,6-dichlorophenyl)methyl]-5-ethyl-7-methylpyrazolo[4,5-d]triazin-4-one
CID 75538592
2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-phenylacetamide
CID 75537822
1-ethyl-5-[(2-fluorophenyl)methylsulfanyl]-3-methyl-6-[(4-methylphenyl)methyl]pyrazolo[4,5-d]pyrimidin-7-one
CID 53050362
4-ethyl-5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-one
CID 71011648
N-(4-methylphenyl)-2-[3-[(4-methylphenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869366
6-[2-(4-chlorophenyl)-2-oxoethyl]-3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
CID 20869407
5-chloro-3,4-dimethyl-1-[(4-methylphenyl)methyl]pyrazole
CID 66023235
2-[1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxopyrazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-phenylpropyl)acetamide
CID 53050347
5-chloro-4-ethyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole
CID 66023029
4,5-diethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-one
CID 143015933
6-[(4-chlorophenyl)methyl]-1-ethyl-3-methyl-5-[(3-methylphenyl)methylsulfanyl]pyrazolo[4,5-d]pyrimidin-7-one
CID 53050402
N-(2,5-difluorophenyl)-2-[1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxopyrazolo[4,5-d]pyrimidin-5-yl]sulfanylacetamide
CID 53050344

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-methyl-3-[(4-methylphenyl)methyl]pyrazolo[4,5-d]triazin-4-one?
The IUPAC name of 5-ethyl-7-methyl-3-[(4-methylphenyl)methyl]pyrazolo[4,5-d]triazin-4-one (CID 75537806) is 5-ethyl-7-methyl-3-[(4-methylphenyl)methyl]pyrazolo[4,5-d]triazin-4-one.
What is the SMILES notation for 5-ethyl-7-methyl-3-[(4-methylphenyl)methyl]pyrazolo[4,5-d]triazin-4-one?
The canonical SMILES for 5-ethyl-7-methyl-3-[(4-methylphenyl)methyl]pyrazolo[4,5-d]triazin-4-one is CCn1nc(C)c2nnn(Cc3ccc(C)cc3)c(=O)c21.
What is the InChIKey of 5-ethyl-7-methyl-3-[(4-methylphenyl)methyl]pyrazolo[4,5-d]triazin-4-one?
The InChIKey is GJPIZCHFKQWEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-4-19-14-13(11(3)17-19)16-18-20(15(14)21)9-12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3.
What are the key properties of 5-ethyl-7-methyl-3-[(4-methylphenyl)methyl]pyrazolo[4,5-d]triazin-4-one?
5-ethyl-7-methyl-3-[(4-methylphenyl)methyl]pyrazolo[4,5-d]triazin-4-one has a molecular weight of 283.33 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-methyl-3-[(4-methylphenyl)methyl]pyrazolo[4,5-d]triazin-4-one is sourced from PubChem (CID 75537806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).