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

C9H7Cl2N5 — CID 71434238

IUPAC6-(2,3-dichloro-4,5,6-trideuteriophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine
SMILES[2H]c1c([2H])c(Cl)c(Cl)c(-[13c]2nn[13c](N)n[13c]2N)c1[2H]
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)/i1D,2D,3D,7+1,8+1,9+1
InChIKeyPYZRQGJRPPTADH-MKOZQUTQSA-N
MW262.09 g/mol
LogP2.01
Rot. Bonds1

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

6-(2,3-dichloro-4,5,6-trideuteriophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine (PubChem CID 71434238) has the molecular formula C9H7Cl2N5 and a molecular weight of 262.09 g/mol. Its IUPAC name is 6-(2,3-dichloro-4,5,6-trideuteriophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-(2,3-dichloro-4,5,6-trideuteriophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine
PubChem CID71434238
Molecular FormulaC9H7Cl2N5
Molecular Weight262.09 g/mol
Exact Mass261.04
IUPAC Name6-(2,3-dichloro-4,5,6-trideuteriophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine
SMILES[2H]c1c([2H])c(Cl)c(Cl)c(-[13c]2nn[13c](N)n[13c]2N)c1[2H]
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)/i1D,2D,3D,7+1,8+1,9+1
InChIKeyPYZRQGJRPPTADH-MKOZQUTQSA-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 ≤ 500262.09
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2,3-dichloro-4,5,6-trideuteriophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichloro-4,5,6-trideuteriophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-(2,3-dichloro-4,5,6-trideuteriophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine (CID 71434238) is 6-(2,3-dichloro-4,5,6-trideuteriophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-(2,3-dichloro-4,5,6-trideuteriophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-(2,3-dichloro-4,5,6-trideuteriophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine is [2H]c1c([2H])c(Cl)c(Cl)c(-[13c]2nn[13c](N)n[13c]2N)c1[2H].
What is the InChIKey of 6-(2,3-dichloro-4,5,6-trideuteriophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine?
The InChIKey is PYZRQGJRPPTADH-MKOZQUTQSA-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)/i1D,2D,3D,7+1,8+1,9+1.
What are the key properties of 6-(2,3-dichloro-4,5,6-trideuteriophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine?
6-(2,3-dichloro-4,5,6-trideuteriophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine has a molecular weight of 262.09 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-dichloro-4,5,6-trideuteriophenyl)-(3,5,6-13C3)1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 71434238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).