N-benzyl-3,6-dichloro-1,2,4-triazin-5-amine

C10H8Cl2N4 — CID 81036482

IUPACN-benzyl-3,6-dichloro-1,2,4-triazin-5-amine
SMILESClc1nnc(Cl)c(NCc2ccccc2)n1
InChIInChI=1S/C10H8Cl2N4/c11-8-9(14-10(12)16-15-8)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14,16)
InChIKeyGTYJCAXGFCKBDY-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.79
Rot. Bonds3

About N-benzyl-3,6-dichloro-1,2,4-triazin-5-amine

N-benzyl-3,6-dichloro-1,2,4-triazin-5-amine (PubChem CID 81036482) has the molecular formula C10H8Cl2N4 and a molecular weight of 255.11 g/mol. Its IUPAC name is N-benzyl-3,6-dichloro-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-benzyl-3,6-dichloro-1,2,4-triazin-5-amine
PubChem CID81036482
Molecular FormulaC10H8Cl2N4
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC NameN-benzyl-3,6-dichloro-1,2,4-triazin-5-amine
SMILESClc1nnc(Cl)c(NCc2ccccc2)n1
InChIInChI=1S/C10H8Cl2N4/c11-8-9(14-10(12)16-15-8)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14,16)
InChIKeyGTYJCAXGFCKBDY-UHFFFAOYSA-N
XLogP2.79
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,6-dichloro-1,2,4-triazin-5-amine?
The IUPAC name of N-benzyl-3,6-dichloro-1,2,4-triazin-5-amine (CID 81036482) is N-benzyl-3,6-dichloro-1,2,4-triazin-5-amine.
What is the SMILES notation for N-benzyl-3,6-dichloro-1,2,4-triazin-5-amine?
The canonical SMILES for N-benzyl-3,6-dichloro-1,2,4-triazin-5-amine is Clc1nnc(Cl)c(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-3,6-dichloro-1,2,4-triazin-5-amine?
The InChIKey is GTYJCAXGFCKBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4/c11-8-9(14-10(12)16-15-8)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14,16).
What are the key properties of N-benzyl-3,6-dichloro-1,2,4-triazin-5-amine?
N-benzyl-3,6-dichloro-1,2,4-triazin-5-amine has a molecular weight of 255.11 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,6-dichloro-1,2,4-triazin-5-amine is sourced from PubChem (CID 81036482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).