3,6-dichloro-N,N-di(propan-2-yl)-1,2,4-triazin-5-amine

C9H14Cl2N4 — CID 13073048

IUPAC3,6-dichloro-N,N-di(propan-2-yl)-1,2,4-triazin-5-amine
SMILESCC(C)N(c1nc(Cl)nnc1Cl)C(C)C
InChIInChI=1S/C9H14Cl2N4/c1-5(2)15(6(3)4)8-7(10)13-14-9(11)12-8/h5-6H,1-4H3
InChIKeyGQOWEPJAZRLRPG-UHFFFAOYSA-N
MW249.15 g/mol
LogP2.80
Rot. Bonds3

About 3,6-dichloro-N,N-di(propan-2-yl)-1,2,4-triazin-5-amine

3,6-dichloro-N,N-di(propan-2-yl)-1,2,4-triazin-5-amine (PubChem CID 13073048) has the molecular formula C9H14Cl2N4 and a molecular weight of 249.15 g/mol. Its IUPAC name is 3,6-dichloro-N,N-di(propan-2-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N,N-di(propan-2-yl)-1,2,4-triazin-5-amine
PubChem CID13073048
Molecular FormulaC9H14Cl2N4
Molecular Weight249.15 g/mol
Exact Mass248.06
IUPAC Name3,6-dichloro-N,N-di(propan-2-yl)-1,2,4-triazin-5-amine
SMILESCC(C)N(c1nc(Cl)nnc1Cl)C(C)C
InChIInChI=1S/C9H14Cl2N4/c1-5(2)15(6(3)4)8-7(10)13-14-9(11)12-8/h5-6H,1-4H3
InChIKeyGQOWEPJAZRLRPG-UHFFFAOYSA-N
XLogP2.80
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,6-dichloro-N,N-di(propan-2-yl)-1,2,4-triazin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N,N-di(propan-2-yl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N,N-di(propan-2-yl)-1,2,4-triazin-5-amine (CID 13073048) is 3,6-dichloro-N,N-di(propan-2-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N,N-di(propan-2-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N,N-di(propan-2-yl)-1,2,4-triazin-5-amine is CC(C)N(c1nc(Cl)nnc1Cl)C(C)C.
What is the InChIKey of 3,6-dichloro-N,N-di(propan-2-yl)-1,2,4-triazin-5-amine?
The InChIKey is GQOWEPJAZRLRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2N4/c1-5(2)15(6(3)4)8-7(10)13-14-9(11)12-8/h5-6H,1-4H3.
What are the key properties of 3,6-dichloro-N,N-di(propan-2-yl)-1,2,4-triazin-5-amine?
3,6-dichloro-N,N-di(propan-2-yl)-1,2,4-triazin-5-amine has a molecular weight of 249.15 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N,N-di(propan-2-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 13073048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).