6-(2,3-dichlorophenyl)-2-methyl-1,2,4-triazin-2-ium-3,5-diamine

C10H10Cl2N5+ — CID 91810661

IUPAC6-(2,3-dichlorophenyl)-2-methyl-1,2,4-triazin-2-ium-3,5-diamine
SMILESC[n+]1nc(-c2cccc(Cl)c2Cl)c(N)nc1N
InChIInChI=1S/C10H9Cl2N5/c1-17-10(14)15-9(13)8(16-17)5-3-2-4-6(11)7(5)12/h2-4H,1H3,(H3,13,14,15)/p+1
InChIKeyODYWNHAUROHCSD-UHFFFAOYSA-O
MW271.13 g/mol
LogP1.44
Rot. Bonds1

About 6-(2,3-dichlorophenyl)-2-methyl-1,2,4-triazin-2-ium-3,5-diamine

6-(2,3-dichlorophenyl)-2-methyl-1,2,4-triazin-2-ium-3,5-diamine (PubChem CID 91810661) has the molecular formula C10H10Cl2N5+ and a molecular weight of 271.13 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-2-methyl-1,2,4-triazin-2-ium-3,5-diamine.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-2-methyl-1,2,4-triazin-2-ium-3,5-diamine
PubChem CID91810661
Molecular FormulaC10H10Cl2N5+
Molecular Weight271.13 g/mol
Exact Mass270.03
IUPAC Name6-(2,3-dichlorophenyl)-2-methyl-1,2,4-triazin-2-ium-3,5-diamine
SMILESC[n+]1nc(-c2cccc(Cl)c2Cl)c(N)nc1N
InChIInChI=1S/C10H9Cl2N5/c1-17-10(14)15-9(13)8(16-17)5-3-2-4-6(11)7(5)12/h2-4H,1H3,(H3,13,14,15)/p+1
InChIKeyODYWNHAUROHCSD-UHFFFAOYSA-O
XLogP1.44
TPSA81.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenyl)-2-methyl-1,2,4-triazin-2-ium-3,5-diamine?
The IUPAC name of 6-(2,3-dichlorophenyl)-2-methyl-1,2,4-triazin-2-ium-3,5-diamine (CID 91810661) is 6-(2,3-dichlorophenyl)-2-methyl-1,2,4-triazin-2-ium-3,5-diamine.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-2-methyl-1,2,4-triazin-2-ium-3,5-diamine?
The canonical SMILES for 6-(2,3-dichlorophenyl)-2-methyl-1,2,4-triazin-2-ium-3,5-diamine is C[n+]1nc(-c2cccc(Cl)c2Cl)c(N)nc1N.
What is the InChIKey of 6-(2,3-dichlorophenyl)-2-methyl-1,2,4-triazin-2-ium-3,5-diamine?
The InChIKey is ODYWNHAUROHCSD-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H9Cl2N5/c1-17-10(14)15-9(13)8(16-17)5-3-2-4-6(11)7(5)12/h2-4H,1H3,(H3,13,14,15)/p+1.
What are the key properties of 6-(2,3-dichlorophenyl)-2-methyl-1,2,4-triazin-2-ium-3,5-diamine?
6-(2,3-dichlorophenyl)-2-methyl-1,2,4-triazin-2-ium-3,5-diamine has a molecular weight of 271.13 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenyl)-2-methyl-1,2,4-triazin-2-ium-3,5-diamine is sourced from PubChem (CID 91810661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).