5-[(Z)-benzylideneamino]-2-methylpyrazolo[3,4-d]pyrimidin-4-one

C13H11N5O — CID 5453443

IUPAC5-[(Z)-benzylideneamino]-2-methylpyrazolo[3,4-d]pyrimidin-4-one
SMILESCn1cc2c(=O)n(/N=C\c3ccccc3)cnc2n1
InChIInChI=1S/C13H11N5O/c1-17-8-11-12(16-17)14-9-18(13(11)19)15-7-10-5-3-2-4-6-10/h2-9H,1H3/b15-7-
InChIKeyAESFKJYLIBJDPY-CHHVJCJISA-N
MW253.27 g/mol
LogP1.01
Rot. Bonds2

About 5-[(Z)-benzylideneamino]-2-methylpyrazolo[3,4-d]pyrimidin-4-one

5-[(Z)-benzylideneamino]-2-methylpyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 5453443) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 5-[(Z)-benzylideneamino]-2-methylpyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(Z)-benzylideneamino]-2-methylpyrazolo[3,4-d]pyrimidin-4-one
PubChem CID5453443
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name5-[(Z)-benzylideneamino]-2-methylpyrazolo[3,4-d]pyrimidin-4-one
SMILESCn1cc2c(=O)n(/N=C\c3ccccc3)cnc2n1
InChIInChI=1S/C13H11N5O/c1-17-8-11-12(16-17)14-9-18(13(11)19)15-7-10-5-3-2-4-6-10/h2-9H,1H3/b15-7-
InChIKeyAESFKJYLIBJDPY-CHHVJCJISA-N
XLogP1.01
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[(Z)-benzylideneamino]-2-methylpyrazolo[3,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one
CID 29456276
3-[(Z)-(4-butoxyphenyl)methylideneamino]quinazolin-4-one
CID 29456331
3-[(E)-(3-hydroxyphenyl)methylideneamino]quinazolin-4-one
CID 18229360
3-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-one
CID 6304404
2,6-dimethyl-5-phenylpyrazolo[3,4-d]pyrimidin-4-one
CID 13350199
3-(benzylideneamino)-8-methoxy-5H-pyrimido[5,4-b]indol-4-one
CID 813615
5-[(Z)-(4-butoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 9462061
(E)-N-(4-methylimidazol-1-yl)-1-phenylmethanimine
CID 19862556
5-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 135749570
3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 9214185
3-[(E)-(4-hydroxyphenyl)methylideneamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 135558867
6-ethyl-3-[(Z)-naphthalen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 9174718

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-benzylideneamino]-2-methylpyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(Z)-benzylideneamino]-2-methylpyrazolo[3,4-d]pyrimidin-4-one (CID 5453443) is 5-[(Z)-benzylideneamino]-2-methylpyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(Z)-benzylideneamino]-2-methylpyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(Z)-benzylideneamino]-2-methylpyrazolo[3,4-d]pyrimidin-4-one is Cn1cc2c(=O)n(/N=C\c3ccccc3)cnc2n1.
What is the InChIKey of 5-[(Z)-benzylideneamino]-2-methylpyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is AESFKJYLIBJDPY-CHHVJCJISA-N. The full InChI is InChI=1S/C13H11N5O/c1-17-8-11-12(16-17)14-9-18(13(11)19)15-7-10-5-3-2-4-6-10/h2-9H,1H3/b15-7-.
What are the key properties of 5-[(Z)-benzylideneamino]-2-methylpyrazolo[3,4-d]pyrimidin-4-one?
5-[(Z)-benzylideneamino]-2-methylpyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 253.27 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-benzylideneamino]-2-methylpyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 5453443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).