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

C9H8Cl3N5 — CID 68929340

IUPAC6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;hydrochloride
SMILESCl.Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1
InChIInChI=1S/C9H7Cl2N5.ClH/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7;/h1-3H,(H4,12,13,14,16);1H
InChIKeyXFIHKGTWNAYDRJ-UHFFFAOYSA-N
MW292.56 g/mol
LogP2.43
Rot. Bonds1

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

6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;hydrochloride (PubChem CID 68929340) has the molecular formula C9H8Cl3N5 and a molecular weight of 292.56 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;hydrochloride.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;hydrochloride
PubChem CID68929340
Molecular FormulaC9H8Cl3N5
Molecular Weight292.56 g/mol
Exact Mass290.98
IUPAC Name6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;hydrochloride
SMILESCl.Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1
InChIInChI=1S/C9H7Cl2N5.ClH/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7;/h1-3H,(H4,12,13,14,16);1H
InChIKeyXFIHKGTWNAYDRJ-UHFFFAOYSA-N
XLogP2.43
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;hydrochloride?
The IUPAC name of 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;hydrochloride (CID 68929340) is 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;hydrochloride.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;hydrochloride?
The canonical SMILES for 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;hydrochloride is Cl.Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1.
What is the InChIKey of 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;hydrochloride?
The InChIKey is XFIHKGTWNAYDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N5.ClH/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7;/h1-3H,(H4,12,13,14,16);1H.
What are the key properties of 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;hydrochloride?
6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;hydrochloride has a molecular weight of 292.56 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;hydrochloride is sourced from PubChem (CID 68929340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).