6-(5-amino-2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine

C9H8Cl2N6 — CID 53427680

IUPAC6-(5-amino-2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
SMILESNc1cc(Cl)c(Cl)c(-c2nnc(N)nc2N)c1
InChIInChI=1S/C9H8Cl2N6/c10-5-2-3(12)1-4(6(5)11)7-8(13)15-9(14)17-16-7/h1-2H,12H2,(H4,13,14,15,17)
InChIKeyKSPOPUNATHRTBI-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.59
Rot. Bonds1

About 6-(5-amino-2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine

6-(5-amino-2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 53427680) has the molecular formula C9H8Cl2N6 and a molecular weight of 271.11 g/mol. Its IUPAC name is 6-(5-amino-2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-(5-amino-2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID53427680
Molecular FormulaC9H8Cl2N6
Molecular Weight271.11 g/mol
Exact Mass270.02
IUPAC Name6-(5-amino-2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
SMILESNc1cc(Cl)c(Cl)c(-c2nnc(N)nc2N)c1
InChIInChI=1S/C9H8Cl2N6/c10-5-2-3(12)1-4(6(5)11)7-8(13)15-9(14)17-16-7/h1-2H,12H2,(H4,13,14,15,17)
InChIKeyKSPOPUNATHRTBI-UHFFFAOYSA-N
XLogP1.59
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-(5-amino-2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine (CID 53427680) is 6-(5-amino-2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-(5-amino-2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-(5-amino-2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine is Nc1cc(Cl)c(Cl)c(-c2nnc(N)nc2N)c1.
What is the InChIKey of 6-(5-amino-2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is KSPOPUNATHRTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N6/c10-5-2-3(12)1-4(6(5)11)7-8(13)15-9(14)17-16-7/h1-2H,12H2,(H4,13,14,15,17).
What are the key properties of 6-(5-amino-2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine?
6-(5-amino-2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 271.11 g/mol, XLogP of 1.59, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 53427680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).