5-[(4-chlorophenyl)methyl]-N-ethyl-3-phenyl-1,2,4-triazin-6-amine

C18H17ClN4 — CID 19787781

IUPAC5-[(4-chlorophenyl)methyl]-N-ethyl-3-phenyl-1,2,4-triazin-6-amine
SMILESCCNc1nnc(-c2ccccc2)nc1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4/c1-2-20-18-16(12-13-8-10-15(19)11-9-13)21-17(22-23-18)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,20,23)
InChIKeyGAHIZAFGONNPFD-UHFFFAOYSA-N
MW324.82 g/mol
LogP4.21
Rot. Bonds5

About 5-[(4-chlorophenyl)methyl]-N-ethyl-3-phenyl-1,2,4-triazin-6-amine

5-[(4-chlorophenyl)methyl]-N-ethyl-3-phenyl-1,2,4-triazin-6-amine (PubChem CID 19787781) has the molecular formula C18H17ClN4 and a molecular weight of 324.82 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-N-ethyl-3-phenyl-1,2,4-triazin-6-amine.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-N-ethyl-3-phenyl-1,2,4-triazin-6-amine
PubChem CID19787781
Molecular FormulaC18H17ClN4
Molecular Weight324.82 g/mol
Exact Mass324.11
IUPAC Name5-[(4-chlorophenyl)methyl]-N-ethyl-3-phenyl-1,2,4-triazin-6-amine
SMILESCCNc1nnc(-c2ccccc2)nc1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4/c1-2-20-18-16(12-13-8-10-15(19)11-9-13)21-17(22-23-18)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,20,23)
InChIKeyGAHIZAFGONNPFD-UHFFFAOYSA-N
XLogP4.21
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.82
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-N-ethyl-3-phenyl-1,2,4-triazin-6-amine?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-N-ethyl-3-phenyl-1,2,4-triazin-6-amine (CID 19787781) is 5-[(4-chlorophenyl)methyl]-N-ethyl-3-phenyl-1,2,4-triazin-6-amine.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-N-ethyl-3-phenyl-1,2,4-triazin-6-amine?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-N-ethyl-3-phenyl-1,2,4-triazin-6-amine is CCNc1nnc(-c2ccccc2)nc1Cc1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-N-ethyl-3-phenyl-1,2,4-triazin-6-amine?
The InChIKey is GAHIZAFGONNPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4/c1-2-20-18-16(12-13-8-10-15(19)11-9-13)21-17(22-23-18)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,20,23).
What are the key properties of 5-[(4-chlorophenyl)methyl]-N-ethyl-3-phenyl-1,2,4-triazin-6-amine?
5-[(4-chlorophenyl)methyl]-N-ethyl-3-phenyl-1,2,4-triazin-6-amine has a molecular weight of 324.82 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-N-ethyl-3-phenyl-1,2,4-triazin-6-amine is sourced from PubChem (CID 19787781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).