4-[2-[(3,4-dichlorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine

C16H18Cl2N6 — CID 90159585

IUPAC4-[2-[(3,4-dichlorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine
SMILESC#CCNc1ncnc(NN(CCC)Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H18Cl2N6/c1-3-7-19-15-20-11-21-16(22-15)23-24(8-4-2)10-12-5-6-13(17)14(18)9-12/h1,5-6,9,11H,4,7-8,10H2,2H3,(H2,19,20,21,22,23)
InChIKeyBIZWOYKHCWLSGB-UHFFFAOYSA-N
MW365.27 g/mol
LogP3.46
Rot. Bonds8

About 4-[2-[(3,4-dichlorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine

4-[2-[(3,4-dichlorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine (PubChem CID 90159585) has the molecular formula C16H18Cl2N6 and a molecular weight of 365.27 g/mol. Its IUPAC name is 4-[2-[(3,4-dichlorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-[(3,4-dichlorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine
PubChem CID90159585
Molecular FormulaC16H18Cl2N6
Molecular Weight365.27 g/mol
Exact Mass364.10
IUPAC Name4-[2-[(3,4-dichlorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine
SMILESC#CCNc1ncnc(NN(CCC)Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H18Cl2N6/c1-3-7-19-15-20-11-21-16(22-15)23-24(8-4-2)10-12-5-6-13(17)14(18)9-12/h1,5-6,9,11H,4,7-8,10H2,2H3,(H2,19,20,21,22,23)
InChIKeyBIZWOYKHCWLSGB-UHFFFAOYSA-N
XLogP3.46
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3,4-dichlorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-[(3,4-dichlorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine (CID 90159585) is 4-[2-[(3,4-dichlorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-[(3,4-dichlorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-[(3,4-dichlorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine is C#CCNc1ncnc(NN(CCC)Cc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 4-[2-[(3,4-dichlorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine?
The InChIKey is BIZWOYKHCWLSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N6/c1-3-7-19-15-20-11-21-16(22-15)23-24(8-4-2)10-12-5-6-13(17)14(18)9-12/h1,5-6,9,11H,4,7-8,10H2,2H3,(H2,19,20,21,22,23).
What are the key properties of 4-[2-[(3,4-dichlorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine?
4-[2-[(3,4-dichlorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine has a molecular weight of 365.27 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3,4-dichlorophenyl)methyl]-2-propylhydrazinyl]-N-prop-2-ynyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 90159585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).