N'-[6-(4-chlorophenyl)-3-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine

C17H16ClN5 — CID 59268366

IUPACN'-[6-(4-chlorophenyl)-3-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine
SMILESNCCNc1nc(-c2ccccc2)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN5/c18-14-8-6-12(7-9-14)15-17(20-11-10-19)21-16(23-22-15)13-4-2-1-3-5-13/h1-9H,10-11,19H2,(H,20,21,23)
InChIKeyLDFAVEYPVYCPGU-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.23
Rot. Bonds5

About N'-[6-(4-chlorophenyl)-3-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine

N'-[6-(4-chlorophenyl)-3-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine (PubChem CID 59268366) has the molecular formula C17H16ClN5 and a molecular weight of 325.80 g/mol. Its IUPAC name is N'-[6-(4-chlorophenyl)-3-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-(4-chlorophenyl)-3-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine
PubChem CID59268366
Molecular FormulaC17H16ClN5
Molecular Weight325.80 g/mol
Exact Mass325.11
IUPAC NameN'-[6-(4-chlorophenyl)-3-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine
SMILESNCCNc1nc(-c2ccccc2)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN5/c18-14-8-6-12(7-9-14)15-17(20-11-10-19)21-16(23-22-15)13-4-2-1-3-5-13/h1-9H,10-11,19H2,(H,20,21,23)
InChIKeyLDFAVEYPVYCPGU-UHFFFAOYSA-N
XLogP3.23
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-chlorophenyl)-3-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[6-(4-chlorophenyl)-3-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine (CID 59268366) is N'-[6-(4-chlorophenyl)-3-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[6-(4-chlorophenyl)-3-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[6-(4-chlorophenyl)-3-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine is NCCNc1nc(-c2ccccc2)nnc1-c1ccc(Cl)cc1.
What is the InChIKey of N'-[6-(4-chlorophenyl)-3-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine?
The InChIKey is LDFAVEYPVYCPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5/c18-14-8-6-12(7-9-14)15-17(20-11-10-19)21-16(23-22-15)13-4-2-1-3-5-13/h1-9H,10-11,19H2,(H,20,21,23).
What are the key properties of N'-[6-(4-chlorophenyl)-3-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine?
N'-[6-(4-chlorophenyl)-3-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine has a molecular weight of 325.80 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(4-chlorophenyl)-3-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 59268366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).