5-(3,4-dichlorophenyl)-N-methyl-1,2,4-triazin-3-amine

C10H8Cl2N4 — CID 598503

IUPAC5-(3,4-dichlorophenyl)-N-methyl-1,2,4-triazin-3-amine
SMILESCNc1nncc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C10H8Cl2N4/c1-13-10-15-9(5-14-16-10)6-2-3-7(11)8(12)4-6/h2-5H,1H3,(H,13,15,16)
InChIKeyLVBVVHQPZKOEBF-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.89
Rot. Bonds2

About 5-(3,4-dichlorophenyl)-N-methyl-1,2,4-triazin-3-amine

5-(3,4-dichlorophenyl)-N-methyl-1,2,4-triazin-3-amine (PubChem CID 598503) has the molecular formula C10H8Cl2N4 and a molecular weight of 255.11 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N-methyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N-methyl-1,2,4-triazin-3-amine
PubChem CID598503
Molecular FormulaC10H8Cl2N4
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name5-(3,4-dichlorophenyl)-N-methyl-1,2,4-triazin-3-amine
SMILESCNc1nncc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C10H8Cl2N4/c1-13-10-15-9(5-14-16-10)6-2-3-7(11)8(12)4-6/h2-5H,1H3,(H,13,15,16)
InChIKeyLVBVVHQPZKOEBF-UHFFFAOYSA-N
XLogP2.89
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-N-methyl-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3,4-dichlorophenyl)-N-methyl-1,2,4-triazin-3-amine (CID 598503) is 5-(3,4-dichlorophenyl)-N-methyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-N-methyl-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N-methyl-1,2,4-triazin-3-amine is CNc1nncc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-N-methyl-1,2,4-triazin-3-amine?
The InChIKey is LVBVVHQPZKOEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4/c1-13-10-15-9(5-14-16-10)6-2-3-7(11)8(12)4-6/h2-5H,1H3,(H,13,15,16).
What are the key properties of 5-(3,4-dichlorophenyl)-N-methyl-1,2,4-triazin-3-amine?
5-(3,4-dichlorophenyl)-N-methyl-1,2,4-triazin-3-amine has a molecular weight of 255.11 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-N-methyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 598503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).