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

C11H13Cl2N5O — CID 68862225

IUPAC6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol
SMILESCCO.Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1
InChIInChI=1S/C9H7Cl2N5.C2H6O/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
InChIKeyZYVALKVSVZCCCP-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.01
Rot. Bonds1

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

6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol (PubChem CID 68862225) has the molecular formula C11H13Cl2N5O and a molecular weight of 302.17 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol
PubChem CID68862225
Molecular FormulaC11H13Cl2N5O
Molecular Weight302.17 g/mol
Exact Mass301.05
IUPAC Name6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol
SMILESCCO.Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1
InChIInChI=1S/C9H7Cl2N5.C2H6O/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
InChIKeyZYVALKVSVZCCCP-UHFFFAOYSA-N
XLogP2.01
TPSA110.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.01
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?
The IUPAC name of 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol (CID 68862225) is 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol?
The canonical SMILES for 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol is CCO.Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1.
What is the InChIKey of 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol?
The InChIKey is ZYVALKVSVZCCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N5.C2H6O/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.
What are the key properties of 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol?
6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;ethanol has a molecular weight of 302.17 g/mol, XLogP of 2.01, 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 is sourced from PubChem (CID 68862225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).