3-[(2,4-dichlorophenyl)methyl]-5H-pyrazolo[4,5-d]triazin-4-one

C11H7Cl2N5O — CID 137092226

IUPAC3-[(2,4-dichlorophenyl)methyl]-5H-pyrazolo[4,5-d]triazin-4-one
SMILESO=c1c2[nH]ncc2nnn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H7Cl2N5O/c12-7-2-1-6(8(13)3-7)5-18-11(19)10-9(15-17-18)4-14-16-10/h1-4H,5H2,(H,14,16)
InChIKeyJLCYFOQWOJUXIA-UHFFFAOYSA-N
MW296.12 g/mol
LogP1.87
Rot. Bonds2

About 3-[(2,4-dichlorophenyl)methyl]-5H-pyrazolo[4,5-d]triazin-4-one

3-[(2,4-dichlorophenyl)methyl]-5H-pyrazolo[4,5-d]triazin-4-one (PubChem CID 137092226) has the molecular formula C11H7Cl2N5O and a molecular weight of 296.12 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl]-5H-pyrazolo[4,5-d]triazin-4-one.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl]-5H-pyrazolo[4,5-d]triazin-4-one
PubChem CID137092226
Molecular FormulaC11H7Cl2N5O
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name3-[(2,4-dichlorophenyl)methyl]-5H-pyrazolo[4,5-d]triazin-4-one
SMILESO=c1c2[nH]ncc2nnn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H7Cl2N5O/c12-7-2-1-6(8(13)3-7)5-18-11(19)10-9(15-17-18)4-14-16-10/h1-4H,5H2,(H,14,16)
InChIKeyJLCYFOQWOJUXIA-UHFFFAOYSA-N
XLogP1.87
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[4,5-d]triazin-4-one
CID 137092242
3-[(4-bromo-2-chlorophenyl)methyl]-1,2,3-benzotriazin-4-one
CID 48923577
5-amino-1-[(2,4-dichlorophenyl)methyl]triazole-4-carboxamide
CID 14662861
5-tert-butyl-1-[(2,4-dichlorophenyl)methyl]triazole-4-carbonitrile
CID 94943413
4-[(2,4-dichlorophenyl)methyl]-3-methyl-1H-1,2,4-triazol-5-one
CID 50982347
5-(anilinomethyl)-2-[(2,4-dichlorophenyl)methyl]-4H-1,2,4-triazol-3-one
CID 135658314
[1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine
CID 82203709
3-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-amine
CID 46397595
4-[(2,4-dichlorophenyl)methyl]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 5295802
1-[(2,4-dichlorophenyl)methyl]piperidine-2,6-dione
CID 94697420
1-[(2,4-dichlorophenyl)methyl]-5-(2-methylpropyl)triazole-4-carboxylic acid
CID 102645678
1-[(2,4-dichlorophenyl)methyl]pyrazolo[4,5-b]pyridine
CID 142719630

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-5H-pyrazolo[4,5-d]triazin-4-one?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-5H-pyrazolo[4,5-d]triazin-4-one (CID 137092226) is 3-[(2,4-dichlorophenyl)methyl]-5H-pyrazolo[4,5-d]triazin-4-one.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl]-5H-pyrazolo[4,5-d]triazin-4-one?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl]-5H-pyrazolo[4,5-d]triazin-4-one is O=c1c2[nH]ncc2nnn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl]-5H-pyrazolo[4,5-d]triazin-4-one?
The InChIKey is JLCYFOQWOJUXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N5O/c12-7-2-1-6(8(13)3-7)5-18-11(19)10-9(15-17-18)4-14-16-10/h1-4H,5H2,(H,14,16).
What are the key properties of 3-[(2,4-dichlorophenyl)methyl]-5H-pyrazolo[4,5-d]triazin-4-one?
3-[(2,4-dichlorophenyl)methyl]-5H-pyrazolo[4,5-d]triazin-4-one has a molecular weight of 296.12 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methyl]-5H-pyrazolo[4,5-d]triazin-4-one is sourced from PubChem (CID 137092226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).