3,5-dichloro-N-[(4-ethylphenyl)methyl]-6-hydrazinylpyridin-2-amine

C14H16Cl2N4 — CID 106901036

IUPAC3,5-dichloro-N-[(4-ethylphenyl)methyl]-6-hydrazinylpyridin-2-amine
SMILESCCc1ccc(CNc2nc(NN)c(Cl)cc2Cl)cc1
InChIInChI=1S/C14H16Cl2N4/c1-2-9-3-5-10(6-4-9)8-18-13-11(15)7-12(16)14(19-13)20-17/h3-7H,2,8,17H2,1H3,(H2,18,19,20)
InChIKeyBKBXDSKJXFNBSL-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.85
Rot. Bonds5

About 3,5-dichloro-N-[(4-ethylphenyl)methyl]-6-hydrazinylpyridin-2-amine

3,5-dichloro-N-[(4-ethylphenyl)methyl]-6-hydrazinylpyridin-2-amine (PubChem CID 106901036) has the molecular formula C14H16Cl2N4 and a molecular weight of 311.22 g/mol. Its IUPAC name is 3,5-dichloro-N-[(4-ethylphenyl)methyl]-6-hydrazinylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[(4-ethylphenyl)methyl]-6-hydrazinylpyridin-2-amine
PubChem CID106901036
Molecular FormulaC14H16Cl2N4
Molecular Weight311.22 g/mol
Exact Mass310.08
IUPAC Name3,5-dichloro-N-[(4-ethylphenyl)methyl]-6-hydrazinylpyridin-2-amine
SMILESCCc1ccc(CNc2nc(NN)c(Cl)cc2Cl)cc1
InChIInChI=1S/C14H16Cl2N4/c1-2-9-3-5-10(6-4-9)8-18-13-11(15)7-12(16)14(19-13)20-17/h3-7H,2,8,17H2,1H3,(H2,18,19,20)
InChIKeyBKBXDSKJXFNBSL-UHFFFAOYSA-N
XLogP3.85
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-dichloro-N-[(4-ethylphenyl)methyl]-6-hydrazinylpyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(4-ethylphenyl)methyl]-6-hydrazinylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-[(4-ethylphenyl)methyl]-6-hydrazinylpyridin-2-amine (CID 106901036) is 3,5-dichloro-N-[(4-ethylphenyl)methyl]-6-hydrazinylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-[(4-ethylphenyl)methyl]-6-hydrazinylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-[(4-ethylphenyl)methyl]-6-hydrazinylpyridin-2-amine is CCc1ccc(CNc2nc(NN)c(Cl)cc2Cl)cc1.
What is the InChIKey of 3,5-dichloro-N-[(4-ethylphenyl)methyl]-6-hydrazinylpyridin-2-amine?
The InChIKey is BKBXDSKJXFNBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4/c1-2-9-3-5-10(6-4-9)8-18-13-11(15)7-12(16)14(19-13)20-17/h3-7H,2,8,17H2,1H3,(H2,18,19,20).
What are the key properties of 3,5-dichloro-N-[(4-ethylphenyl)methyl]-6-hydrazinylpyridin-2-amine?
3,5-dichloro-N-[(4-ethylphenyl)methyl]-6-hydrazinylpyridin-2-amine has a molecular weight of 311.22 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(4-ethylphenyl)methyl]-6-hydrazinylpyridin-2-amine is sourced from PubChem (CID 106901036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).