2-N-(3-chloro-4-methylphenyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine

C14H20ClN7 — CID 803062

IUPAC2-N-(3-chloro-4-methylphenyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NN)nc(Nc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C14H20ClN7/c1-4-22(5-2)14-19-12(18-13(20-14)21-16)17-10-7-6-9(3)11(15)8-10/h6-8H,4-5,16H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyJSPHRJSYTQVGLM-UHFFFAOYSA-N
MW321.82 g/mol
LogP2.71
Rot. Bonds6

About 2-N-(3-chloro-4-methylphenyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine

2-N-(3-chloro-4-methylphenyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine (PubChem CID 803062) has the molecular formula C14H20ClN7 and a molecular weight of 321.82 g/mol. Its IUPAC name is 2-N-(3-chloro-4-methylphenyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-4-methylphenyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
PubChem CID803062
Molecular FormulaC14H20ClN7
Molecular Weight321.82 g/mol
Exact Mass321.15
IUPAC Name2-N-(3-chloro-4-methylphenyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NN)nc(Nc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C14H20ClN7/c1-4-22(5-2)14-19-12(18-13(20-14)21-16)17-10-7-6-9(3)11(15)8-10/h6-8H,4-5,16H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyJSPHRJSYTQVGLM-UHFFFAOYSA-N
XLogP2.71
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.82
LogP ≤ 52.71
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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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-methylphenyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-chloro-4-methylphenyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine (CID 803062) is 2-N-(3-chloro-4-methylphenyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-4-methylphenyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-4-methylphenyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(NN)nc(Nc2ccc(C)c(Cl)c2)n1.
What is the InChIKey of 2-N-(3-chloro-4-methylphenyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JSPHRJSYTQVGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN7/c1-4-22(5-2)14-19-12(18-13(20-14)21-16)17-10-7-6-9(3)11(15)8-10/h6-8H,4-5,16H2,1-3H3,(H2,17,18,19,20,21).
What are the key properties of 2-N-(3-chloro-4-methylphenyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine?
2-N-(3-chloro-4-methylphenyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine has a molecular weight of 321.82 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-methylphenyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 803062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).