6-(2,3-dichlorophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine

C9H7Cl2N5 — CID 45039644

IUPAC6-(2,3-dichlorophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine
SMILESN[13c]1nn[13c](-c2cccc(Cl)c2Cl)[13c](N)n1
InChIInChI=1S/C9H7Cl2N5/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)/i7+1,8+1,9+1
InChIKeyPYZRQGJRPPTADH-ULEDQSHZSA-N
MW259.07 g/mol
LogP2.01
Rot. Bonds1

About 6-(2,3-dichlorophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine

6-(2,3-dichlorophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine (PubChem CID 45039644) has the molecular formula C9H7Cl2N5 and a molecular weight of 259.07 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine
PubChem CID45039644
Molecular FormulaC9H7Cl2N5
Molecular Weight259.07 g/mol
Exact Mass258.02
IUPAC Name6-(2,3-dichlorophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine
SMILESN[13c]1nn[13c](-c2cccc(Cl)c2Cl)[13c](N)n1
InChIInChI=1S/C9H7Cl2N5/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)/i7+1,8+1,9+1
InChIKeyPYZRQGJRPPTADH-ULEDQSHZSA-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 ≤ 500259.07
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Lamotrigine
CID 3878
6-(3-Chlorophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53354521
6-(3,5-Dichlorophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53354632
3-(4-Amino-4-methyl-1-piperidinyl)-6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine
CID 118239663
as-Triazine, 5-(3,4-dichlorophenyl)-3-hydrazino-
CID 3053951
6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine isethionate
CID 45039646
5-(2,3-Dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
CID 155537615
6-Phenyl-1,2,4-triazine-3,5-diamine
CID 21814735
6-(3-Chloro-4-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53354724
1,2,4-Triazine-3,5-diamine, 6-(2,5-dichlorophenyl)-
CID 3060073
6-(2,4-Dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 18347897
N2-Methyl lamotrigine
CID 91810661

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-(2,3-dichlorophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine (CID 45039644) is 6-(2,3-dichlorophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-(2,3-dichlorophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine is N[13c]1nn[13c](-c2cccc(Cl)c2Cl)[13c](N)n1.
What is the InChIKey of 6-(2,3-dichlorophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine?
The InChIKey is PYZRQGJRPPTADH-ULEDQSHZSA-N. The full InChI is InChI=1S/C9H7Cl2N5/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)/i7+1,8+1,9+1.
What are the key properties of 6-(2,3-dichlorophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine?
6-(2,3-dichlorophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine has a molecular weight of 259.07 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-(2,3-dichlorophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 45039644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).