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

C9H7Cl2N5 — CID 3060073

IUPAC6-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
SMILESNc1nnc(-c2cc(Cl)ccc2Cl)c(N)n1
InChIInChI=1S/C9H7Cl2N5/c10-4-1-2-6(11)5(3-4)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
InChIKeyQPXGLZOHUMHCAR-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.01
Rot. Bonds1

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

6-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 3060073) has the molecular formula C9H7Cl2N5 and a molecular weight of 256.10 g/mol. Its IUPAC name is 6-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID3060073
Molecular FormulaC9H7Cl2N5
Molecular Weight256.10 g/mol
Exact Mass255.01
IUPAC Name6-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
SMILESNc1nnc(-c2cc(Cl)ccc2Cl)c(N)n1
InChIInChI=1S/C9H7Cl2N5/c10-4-1-2-6(11)5(3-4)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
InChIKeyQPXGLZOHUMHCAR-UHFFFAOYSA-N
XLogP2.01
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine (CID 3060073) is 6-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine is Nc1nnc(-c2cc(Cl)ccc2Cl)c(N)n1.
What is the InChIKey of 6-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is QPXGLZOHUMHCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N5/c10-4-1-2-6(11)5(3-4)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16).
What are the key properties of 6-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine?
6-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 256.10 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 3060073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).