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

C9H14Cl2N4 — CID 768159

IUPAC4,6-dichloro-N,N-dipropyl-1,3,5-triazin-2-amine
SMILESCCCN(CCC)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H14Cl2N4/c1-3-5-15(6-4-2)9-13-7(10)12-8(11)14-9/h3-6H2,1-2H3
InChIKeyYLIZLYJYOVJNHX-UHFFFAOYSA-N
MW249.14 g/mol
LogP2.80
Rot. Bonds5

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

4,6-dichloro-N,N-dipropyl-1,3,5-triazin-2-amine (PubChem CID 768159) has the molecular formula C9H14Cl2N4 and a molecular weight of 249.14 g/mol. Its IUPAC name is 4,6-dichloro-N,N-dipropyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N,N-dipropyl-1,3,5-triazin-2-amine
PubChem CID768159
Molecular FormulaC9H14Cl2N4
Molecular Weight249.14 g/mol
Exact Mass248.06
IUPAC Name4,6-dichloro-N,N-dipropyl-1,3,5-triazin-2-amine
SMILESCCCN(CCC)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H14Cl2N4/c1-3-5-15(6-4-2)9-13-7(10)12-8(11)14-9/h3-6H2,1-2H3
InChIKeyYLIZLYJYOVJNHX-UHFFFAOYSA-N
XLogP2.80
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N,N-dipropyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N,N-dipropyl-1,3,5-triazin-2-amine (CID 768159) is 4,6-dichloro-N,N-dipropyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N,N-dipropyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N,N-dipropyl-1,3,5-triazin-2-amine is CCCN(CCC)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N,N-dipropyl-1,3,5-triazin-2-amine?
The InChIKey is YLIZLYJYOVJNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2N4/c1-3-5-15(6-4-2)9-13-7(10)12-8(11)14-9/h3-6H2,1-2H3.
What are the key properties of 4,6-dichloro-N,N-dipropyl-1,3,5-triazin-2-amine?
4,6-dichloro-N,N-dipropyl-1,3,5-triazin-2-amine has a molecular weight of 249.14 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N,N-dipropyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 768159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).