N-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine

C10H9Cl2N5 — CID 170875456

IUPACN-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine
SMILESNCc1cccc(Nc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C10H9Cl2N5/c11-8-15-9(12)17-10(16-8)14-7-3-1-2-6(4-7)5-13/h1-4H,5,13H2,(H,14,15,16,17)
InChIKeyLPXUAJJCMIEOIM-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.38
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine

N-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine (PubChem CID 170875456) has the molecular formula C10H9Cl2N5 and a molecular weight of 270.12 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine
PubChem CID170875456
Molecular FormulaC10H9Cl2N5
Molecular Weight270.12 g/mol
Exact Mass269.02
IUPAC NameN-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine
SMILESNCc1cccc(Nc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C10H9Cl2N5/c11-8-15-9(12)17-10(16-8)14-7-3-1-2-6(4-7)5-13/h1-4H,5,13H2,(H,14,15,16,17)
InChIKeyLPXUAJJCMIEOIM-UHFFFAOYSA-N
XLogP2.38
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine?
The IUPAC name of N-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine (CID 170875456) is N-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine is NCc1cccc(Nc2nc(Cl)nc(Cl)n2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine?
The InChIKey is LPXUAJJCMIEOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5/c11-8-15-9(12)17-10(16-8)14-7-3-1-2-6(4-7)5-13/h1-4H,5,13H2,(H,14,15,16,17).
What are the key properties of N-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine?
N-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine has a molecular weight of 270.12 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine is sourced from PubChem (CID 170875456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).