2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-methyl-8H-pteridine-6,7-dione

C14H10Cl2N6O2 — CID 154640795

IUPAC2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-methyl-8H-pteridine-6,7-dione
SMILESCn1c(=O)c(=O)[nH]c2nc(NN=Cc3cccc(Cl)c3Cl)ncc21
InChIInChI=1S/C14H10Cl2N6O2/c1-22-9-6-17-14(20-11(9)19-12(23)13(22)24)21-18-5-7-3-2-4-8(15)10(7)16/h2-6H,1H3,(H2,17,19,20,21,23)
InChIKeyQYKPXEAHZGEKRX-UHFFFAOYSA-N
MW365.18 g/mol
LogP1.77
Rot. Bonds3

About 2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-methyl-8H-pteridine-6,7-dione

2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-methyl-8H-pteridine-6,7-dione (PubChem CID 154640795) has the molecular formula C14H10Cl2N6O2 and a molecular weight of 365.18 g/mol. Its IUPAC name is 2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-methyl-8H-pteridine-6,7-dione.

Molecular Properties

Compound Name2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-methyl-8H-pteridine-6,7-dione
PubChem CID154640795
Molecular FormulaC14H10Cl2N6O2
Molecular Weight365.18 g/mol
Exact Mass364.02
IUPAC Name2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-methyl-8H-pteridine-6,7-dione
SMILESCn1c(=O)c(=O)[nH]c2nc(NN=Cc3cccc(Cl)c3Cl)ncc21
InChIInChI=1S/C14H10Cl2N6O2/c1-22-9-6-17-14(20-11(9)19-12(23)13(22)24)21-18-5-7-3-2-4-8(15)10(7)16/h2-6H,1H3,(H2,17,19,20,21,23)
InChIKeyQYKPXEAHZGEKRX-UHFFFAOYSA-N
XLogP1.77
TPSA105.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-chloro-4-fluorophenyl)methylidene]hydrazinyl]-8-cyclopentyl-5-methylpteridine-6,7-dione
CID 154640813
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4-methylaniline
CID 9059450
2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136788698
8-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3,7-dimethylpurine-2,6-dione
CID 4003251
7-benzyl-8-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione
CID 25357959
7-chloro-1,6-dimethyl-4H-pyrido[2,3-b]pyrazine-2,3-dione
CID 175956756
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524069
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6294643
6-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
CID 4849551
8-cyclopentyl-5-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]pteridine-6,7-dione
CID 154640810
8-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione
CID 3554591
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-methylaniline
CID 9060596

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-methyl-8H-pteridine-6,7-dione?
The IUPAC name of 2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-methyl-8H-pteridine-6,7-dione (CID 154640795) is 2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-methyl-8H-pteridine-6,7-dione.
What is the SMILES notation for 2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-methyl-8H-pteridine-6,7-dione?
The canonical SMILES for 2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-methyl-8H-pteridine-6,7-dione is Cn1c(=O)c(=O)[nH]c2nc(NN=Cc3cccc(Cl)c3Cl)ncc21.
What is the InChIKey of 2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-methyl-8H-pteridine-6,7-dione?
The InChIKey is QYKPXEAHZGEKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N6O2/c1-22-9-6-17-14(20-11(9)19-12(23)13(22)24)21-18-5-7-3-2-4-8(15)10(7)16/h2-6H,1H3,(H2,17,19,20,21,23).
What are the key properties of 2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-methyl-8H-pteridine-6,7-dione?
2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-methyl-8H-pteridine-6,7-dione has a molecular weight of 365.18 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-methyl-8H-pteridine-6,7-dione is sourced from PubChem (CID 154640795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).