6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol;hydrate

C11H15Cl2N5O2 — CID 68865665

IUPAC6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol;hydrate
SMILESCCO.Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1.O
InChIInChI=1S/C9H7Cl2N5.C2H6O.H2O/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7;1-2-3;/h1-3H,(H4,12,13,14,16);3H,2H2,1H3;1H2
InChIKeyVJTFBDAUNPDFMV-UHFFFAOYSA-N
MW320.18 g/mol
LogP1.18
Rot. Bonds1

About 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol;hydrate

6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol;hydrate (PubChem CID 68865665) has the molecular formula C11H15Cl2N5O2 and a molecular weight of 320.18 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol;hydrate.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol;hydrate
PubChem CID68865665
Molecular FormulaC11H15Cl2N5O2
Molecular Weight320.18 g/mol
Exact Mass319.06
IUPAC Name6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol;hydrate
SMILESCCO.Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1.O
InChIInChI=1S/C9H7Cl2N5.C2H6O.H2O/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7;1-2-3;/h1-3H,(H4,12,13,14,16);3H,2H2,1H3;1H2
InChIKeyVJTFBDAUNPDFMV-UHFFFAOYSA-N
XLogP1.18
TPSA142.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol;hydrate?
The IUPAC name of 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol;hydrate (CID 68865665) is 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol;hydrate.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol;hydrate?
The canonical SMILES for 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol;hydrate is CCO.Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1.O.
What is the InChIKey of 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol;hydrate?
The InChIKey is VJTFBDAUNPDFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N5.C2H6O.H2O/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7;1-2-3;/h1-3H,(H4,12,13,14,16);3H,2H2,1H3;1H2.
What are the key properties of 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol;hydrate?
6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol;hydrate has a molecular weight of 320.18 g/mol, XLogP of 1.18, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol;hydrate is sourced from PubChem (CID 68865665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).