3-[(2,6-dichlorophenyl)methyl]-5-ethyl-7-methylpyrazolo[4,5-d]triazin-4-one

C14H13Cl2N5O — CID 75538592

IUPAC3-[(2,6-dichlorophenyl)methyl]-5-ethyl-7-methylpyrazolo[4,5-d]triazin-4-one
SMILESCCn1nc(C)c2nnn(Cc3c(Cl)cccc3Cl)c(=O)c21
InChIInChI=1S/C14H13Cl2N5O/c1-3-20-13-12(8(2)18-20)17-19-21(14(13)22)7-9-10(15)5-4-6-11(9)16/h4-6H,3,7H2,1-2H3
InChIKeySQUQUEKHZCBESZ-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.67
Rot. Bonds3

About 3-[(2,6-dichlorophenyl)methyl]-5-ethyl-7-methylpyrazolo[4,5-d]triazin-4-one

3-[(2,6-dichlorophenyl)methyl]-5-ethyl-7-methylpyrazolo[4,5-d]triazin-4-one (PubChem CID 75538592) has the molecular formula C14H13Cl2N5O and a molecular weight of 338.20 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methyl]-5-ethyl-7-methylpyrazolo[4,5-d]triazin-4-one.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methyl]-5-ethyl-7-methylpyrazolo[4,5-d]triazin-4-one
PubChem CID75538592
Molecular FormulaC14H13Cl2N5O
Molecular Weight338.20 g/mol
Exact Mass337.05
IUPAC Name3-[(2,6-dichlorophenyl)methyl]-5-ethyl-7-methylpyrazolo[4,5-d]triazin-4-one
SMILESCCn1nc(C)c2nnn(Cc3c(Cl)cccc3Cl)c(=O)c21
InChIInChI=1S/C14H13Cl2N5O/c1-3-20-13-12(8(2)18-20)17-19-21(14(13)22)7-9-10(15)5-4-6-11(9)16/h4-6H,3,7H2,1-2H3
InChIKeySQUQUEKHZCBESZ-UHFFFAOYSA-N
XLogP2.67
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-7-methyl-3-[(4-methylphenyl)methyl]pyrazolo[4,5-d]triazin-4-one
CID 75537806
2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-phenylacetamide
CID 75537822
2-[(2,6-dichlorophenyl)methyl]-4-methyl-1,2,4-triazol-3-one
CID 115774414
1-[(2,6-dichlorophenyl)methyl]-3-methylindazole
CID 58796715
1-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanone
CID 62727450
1-[(2,6-dichlorophenyl)methyl]-5-propyltriazole-4-carbaldehyde
CID 82203463
5-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-4H-1,2,4-triazol-3-one
CID 171482338
6-[(4-chlorophenyl)methyl]-1-ethyl-3-methyl-5-[(3-methylphenyl)methylsulfanyl]pyrazolo[4,5-d]pyrimidin-7-one
CID 53050402
(E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]prop-2-enoic acid
CID 2113378
2-[6-[(2-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 53050514
3-chloro-2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]aniline
CID 55241676
N-(2-amino-2-oxoethyl)-3-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]prop-2-enamide
CID 78820089

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-5-ethyl-7-methylpyrazolo[4,5-d]triazin-4-one?
The IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-5-ethyl-7-methylpyrazolo[4,5-d]triazin-4-one (CID 75538592) is 3-[(2,6-dichlorophenyl)methyl]-5-ethyl-7-methylpyrazolo[4,5-d]triazin-4-one.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methyl]-5-ethyl-7-methylpyrazolo[4,5-d]triazin-4-one?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methyl]-5-ethyl-7-methylpyrazolo[4,5-d]triazin-4-one is CCn1nc(C)c2nnn(Cc3c(Cl)cccc3Cl)c(=O)c21.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methyl]-5-ethyl-7-methylpyrazolo[4,5-d]triazin-4-one?
The InChIKey is SQUQUEKHZCBESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N5O/c1-3-20-13-12(8(2)18-20)17-19-21(14(13)22)7-9-10(15)5-4-6-11(9)16/h4-6H,3,7H2,1-2H3.
What are the key properties of 3-[(2,6-dichlorophenyl)methyl]-5-ethyl-7-methylpyrazolo[4,5-d]triazin-4-one?
3-[(2,6-dichlorophenyl)methyl]-5-ethyl-7-methylpyrazolo[4,5-d]triazin-4-one has a molecular weight of 338.20 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methyl]-5-ethyl-7-methylpyrazolo[4,5-d]triazin-4-one is sourced from PubChem (CID 75538592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).