2-[(2-chlorophenyl)methyl]-6-(2,3-dichlorophenyl)-5-imino-1,2,4-triazin-3-amine

C16H12Cl3N5 — CID 173130116

IUPAC2-[(2-chlorophenyl)methyl]-6-(2,3-dichlorophenyl)-5-imino-1,2,4-triazin-3-amine
SMILES[H]/N=c1\nc(N)n(Cc2ccccc2Cl)nc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C16H12Cl3N5/c17-11-6-2-1-4-9(11)8-24-16(21)22-15(20)14(23-24)10-5-3-7-12(18)13(10)19/h1-7H,8H2,(H3,20,21,22)
InChIKeyOOLGMZMJAVWKAF-UHFFFAOYSA-N
MW380.67 g/mol
LogP4.02
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl]-6-(2,3-dichlorophenyl)-5-imino-1,2,4-triazin-3-amine

2-[(2-chlorophenyl)methyl]-6-(2,3-dichlorophenyl)-5-imino-1,2,4-triazin-3-amine (PubChem CID 173130116) has the molecular formula C16H12Cl3N5 and a molecular weight of 380.67 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-6-(2,3-dichlorophenyl)-5-imino-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-6-(2,3-dichlorophenyl)-5-imino-1,2,4-triazin-3-amine
PubChem CID173130116
Molecular FormulaC16H12Cl3N5
Molecular Weight380.67 g/mol
Exact Mass379.02
IUPAC Name2-[(2-chlorophenyl)methyl]-6-(2,3-dichlorophenyl)-5-imino-1,2,4-triazin-3-amine
SMILES[H]/N=c1\nc(N)n(Cc2ccccc2Cl)nc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C16H12Cl3N5/c17-11-6-2-1-4-9(11)8-24-16(21)22-15(20)14(23-24)10-5-3-7-12(18)13(10)19/h1-7H,8H2,(H3,20,21,22)
InChIKeyOOLGMZMJAVWKAF-UHFFFAOYSA-N
XLogP4.02
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.67
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-6-(2,3-dichlorophenyl)-5-imino-1,2,4-triazin-3-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-6-(2,3-dichlorophenyl)-5-imino-1,2,4-triazin-3-amine (CID 173130116) is 2-[(2-chlorophenyl)methyl]-6-(2,3-dichlorophenyl)-5-imino-1,2,4-triazin-3-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-6-(2,3-dichlorophenyl)-5-imino-1,2,4-triazin-3-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-6-(2,3-dichlorophenyl)-5-imino-1,2,4-triazin-3-amine is [H]/N=c1\nc(N)n(Cc2ccccc2Cl)nc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-6-(2,3-dichlorophenyl)-5-imino-1,2,4-triazin-3-amine?
The InChIKey is OOLGMZMJAVWKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3N5/c17-11-6-2-1-4-9(11)8-24-16(21)22-15(20)14(23-24)10-5-3-7-12(18)13(10)19/h1-7H,8H2,(H3,20,21,22).
What are the key properties of 2-[(2-chlorophenyl)methyl]-6-(2,3-dichlorophenyl)-5-imino-1,2,4-triazin-3-amine?
2-[(2-chlorophenyl)methyl]-6-(2,3-dichlorophenyl)-5-imino-1,2,4-triazin-3-amine has a molecular weight of 380.67 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-6-(2,3-dichlorophenyl)-5-imino-1,2,4-triazin-3-amine is sourced from PubChem (CID 173130116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).