3,5-diamino-6-chloro-N-[(E)-[(2,4-dimethylphenyl)methylhydrazinylidene]methyl]pyrazine-2-carboxamide

C15H18ClN7O — CID 135596587

IUPAC3,5-diamino-6-chloro-N-[(E)-[(2,4-dimethylphenyl)methylhydrazinylidene]methyl]pyrazine-2-carboxamide
SMILESCc1ccc(CN/N=C/NC(=O)c2nc(Cl)c(N)nc2N)c(C)c1
InChIInChI=1S/C15H18ClN7O/c1-8-3-4-10(9(2)5-8)6-20-21-7-19-15(24)11-13(17)23-14(18)12(16)22-11/h3-5,7,20H,6H2,1-2H3,(H4,17,18,23)(H,19,21,24)
InChIKeyCGBCFPFSBZTELN-UHFFFAOYSA-N
MW347.81 g/mol
LogP1.37
Rot. Bonds5

About 3,5-diamino-6-chloro-N-[(E)-[(2,4-dimethylphenyl)methylhydrazinylidene]methyl]pyrazine-2-carboxamide

3,5-diamino-6-chloro-N-[(E)-[(2,4-dimethylphenyl)methylhydrazinylidene]methyl]pyrazine-2-carboxamide (PubChem CID 135596587) has the molecular formula C15H18ClN7O and a molecular weight of 347.81 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[(E)-[(2,4-dimethylphenyl)methylhydrazinylidene]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[(E)-[(2,4-dimethylphenyl)methylhydrazinylidene]methyl]pyrazine-2-carboxamide
PubChem CID135596587
Molecular FormulaC15H18ClN7O
Molecular Weight347.81 g/mol
Exact Mass347.13
IUPAC Name3,5-diamino-6-chloro-N-[(E)-[(2,4-dimethylphenyl)methylhydrazinylidene]methyl]pyrazine-2-carboxamide
SMILESCc1ccc(CN/N=C/NC(=O)c2nc(Cl)c(N)nc2N)c(C)c1
InChIInChI=1S/C15H18ClN7O/c1-8-3-4-10(9(2)5-8)6-20-21-7-19-15(24)11-13(17)23-14(18)12(16)22-11/h3-5,7,20H,6H2,1-2H3,(H4,17,18,23)(H,19,21,24)
InChIKeyCGBCFPFSBZTELN-UHFFFAOYSA-N
XLogP1.37
TPSA131.31 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,5-diamino-6-chloro-N-[(E)-[(2,4-dimethylphenyl)methylhydrazinylidene]methyl]pyrazine-2-carboxamide 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

3,5-diamino-6-chloro-N-[(E)-hydrazinylidenemethyl]pyrazine-2-carboxamide;hydrochloride
CID 135568542
5-chloro-N-[(2,4-dimethylphenyl)methyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 46590925
2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide
CID 60936552
3,5-diamino-6-chloro-N-[N'-[4-(3-hydroxy-4-methylphenyl)butyl]carbamimidoyl]pyrazine-2-carboxamide
CID 20760146
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133170937
1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]propan-2-yl-trimethylazanium
CID 58398853
2-[(2,4-dimethylphenyl)methylamino]oxyacetamide
CID 112672487
N-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide
CID 43690141
ethyl N-[2-amino-6-[(2,4-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
CID 45261304
N-(2-aminoethyl)-2-(2,4-dimethylphenyl)acetamide
CID 82283351
3-[(2,4-dimethylphenyl)methylamino]propanoic acid
CID 43139974
N-[(2,4-dimethylphenyl)methyl]-2-hydroxyacetamide
CID 82125722

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[(E)-[(2,4-dimethylphenyl)methylhydrazinylidene]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-6-chloro-N-[(E)-[(2,4-dimethylphenyl)methylhydrazinylidene]methyl]pyrazine-2-carboxamide (CID 135596587) is 3,5-diamino-6-chloro-N-[(E)-[(2,4-dimethylphenyl)methylhydrazinylidene]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[(E)-[(2,4-dimethylphenyl)methylhydrazinylidene]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-6-chloro-N-[(E)-[(2,4-dimethylphenyl)methylhydrazinylidene]methyl]pyrazine-2-carboxamide is Cc1ccc(CN/N=C/NC(=O)c2nc(Cl)c(N)nc2N)c(C)c1.
What is the InChIKey of 3,5-diamino-6-chloro-N-[(E)-[(2,4-dimethylphenyl)methylhydrazinylidene]methyl]pyrazine-2-carboxamide?
The InChIKey is CGBCFPFSBZTELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN7O/c1-8-3-4-10(9(2)5-8)6-20-21-7-19-15(24)11-13(17)23-14(18)12(16)22-11/h3-5,7,20H,6H2,1-2H3,(H4,17,18,23)(H,19,21,24).
What are the key properties of 3,5-diamino-6-chloro-N-[(E)-[(2,4-dimethylphenyl)methylhydrazinylidene]methyl]pyrazine-2-carboxamide?
3,5-diamino-6-chloro-N-[(E)-[(2,4-dimethylphenyl)methylhydrazinylidene]methyl]pyrazine-2-carboxamide has a molecular weight of 347.81 g/mol, XLogP of 1.37, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[(E)-[(2,4-dimethylphenyl)methylhydrazinylidene]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 135596587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).