N-(2,6-dichlorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine

C11H12Cl2N6O — CID 80931014

IUPACN-(2,6-dichlorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C11H12Cl2N6O/c1-2-20-11-17-9(16-10(18-11)19-14)15-8-6(12)4-3-5-7(8)13/h3-5H,2,14H2,1H3,(H2,15,16,17,18,19)
InChIKeyCRKLVCYTNLKNMM-UHFFFAOYSA-N
MW315.16 g/mol
LogP2.61
Rot. Bonds5

About N-(2,6-dichlorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine

N-(2,6-dichlorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine (PubChem CID 80931014) has the molecular formula C11H12Cl2N6O and a molecular weight of 315.16 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
PubChem CID80931014
Molecular FormulaC11H12Cl2N6O
Molecular Weight315.16 g/mol
Exact Mass314.04
IUPAC NameN-(2,6-dichlorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C11H12Cl2N6O/c1-2-20-11-17-9(16-10(18-11)19-14)15-8-6(12)4-3-5-7(8)13/h3-5H,2,14H2,1H3,(H2,15,16,17,18,19)
InChIKeyCRKLVCYTNLKNMM-UHFFFAOYSA-N
XLogP2.61
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-chloro-6-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80850454
4-ethoxy-N-(2-fluoro-3-methylphenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 114254280
4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80928193
2-N-(2,6-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80846906
N-(2-bromo-5-chloro-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 104725633
2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80760788
4-ethoxy-6-hydrazinyl-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine
CID 80911422
N-(2-bromo-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80931418
3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]benzonitrile
CID 80927875
N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80901413
4-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]benzonitrile
CID 80928587
N-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80905492

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine (CID 80931014) is N-(2,6-dichlorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine is CCOc1nc(NN)nc(Nc2c(Cl)cccc2Cl)n1.
What is the InChIKey of N-(2,6-dichlorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine?
The InChIKey is CRKLVCYTNLKNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N6O/c1-2-20-11-17-9(16-10(18-11)19-14)15-8-6(12)4-3-5-7(8)13/h3-5H,2,14H2,1H3,(H2,15,16,17,18,19).
What are the key properties of N-(2,6-dichlorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine?
N-(2,6-dichlorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine has a molecular weight of 315.16 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80931014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).