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

C10H9Cl2N5 — CID 142074168

IUPAC6-(2,3-dichloro-4-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1ccc(-c2nnc(N)nc2N)c(Cl)c1Cl
InChIInChI=1S/C10H9Cl2N5/c1-4-2-3-5(7(12)6(4)11)8-9(13)15-10(14)17-16-8/h2-3H,1H3,(H4,13,14,15,17)
InChIKeyDXQDKIZWPPYJCQ-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.32
Rot. Bonds1

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

6-(2,3-dichloro-4-methylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 142074168) has the molecular formula C10H9Cl2N5 and a molecular weight of 270.12 g/mol. Its IUPAC name is 6-(2,3-dichloro-4-methylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-(2,3-dichloro-4-methylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID142074168
Molecular FormulaC10H9Cl2N5
Molecular Weight270.12 g/mol
Exact Mass269.02
IUPAC Name6-(2,3-dichloro-4-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1ccc(-c2nnc(N)nc2N)c(Cl)c1Cl
InChIInChI=1S/C10H9Cl2N5/c1-4-2-3-5(7(12)6(4)11)8-9(13)15-10(14)17-16-8/h2-3H,1H3,(H4,13,14,15,17)
InChIKeyDXQDKIZWPPYJCQ-UHFFFAOYSA-N
XLogP2.32
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-amino-2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 53427680
6-(2-methylnaphthalen-1-yl)-1,2,4-triazine-3,5-diamine
CID 23311125
6-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 3060073
6-(2-chloro-3-pyridinyl)-1,2,4-triazine-3,5-diamine
CID 58103123
6-(2-chloro-6-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 23311127
6-(2,6-dichloro-5-fluoro-3-pyridinyl)-1,2,4-triazine-3,5-diamine
CID 58103120
6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 15764367
6-naphthalen-1-yl-1,2,4-triazine-3,5-diamine
CID 23311134
2,3-dichloro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 143286590
6-[3-(4-chlorophenyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 121410399
cyclohexane-1,2,3,4,5,6-hexol;6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;2-propylpentanoic acid
CID 73437652
3-(2-chloro-3-methylphenyl)pyridine-2,6-diamine
CID 139370044

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichloro-4-methylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-(2,3-dichloro-4-methylphenyl)-1,2,4-triazine-3,5-diamine (CID 142074168) is 6-(2,3-dichloro-4-methylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-(2,3-dichloro-4-methylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-(2,3-dichloro-4-methylphenyl)-1,2,4-triazine-3,5-diamine is Cc1ccc(-c2nnc(N)nc2N)c(Cl)c1Cl.
What is the InChIKey of 6-(2,3-dichloro-4-methylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is DXQDKIZWPPYJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5/c1-4-2-3-5(7(12)6(4)11)8-9(13)15-10(14)17-16-8/h2-3H,1H3,(H4,13,14,15,17).
What are the key properties of 6-(2,3-dichloro-4-methylphenyl)-1,2,4-triazine-3,5-diamine?
6-(2,3-dichloro-4-methylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 270.12 g/mol, XLogP of 2.32, 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-methylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 142074168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).