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

C7H10Cl2N4 — CID 13073052

IUPAC3,6-dichloro-N,N-diethyl-1,2,4-triazin-5-amine
SMILESCCN(CC)c1nc(Cl)nnc1Cl
InChIInChI=1S/C7H10Cl2N4/c1-3-13(4-2)6-5(8)11-12-7(9)10-6/h3-4H2,1-2H3
InChIKeyRDXNVVBLODITBT-UHFFFAOYSA-N
MW221.09 g/mol
LogP2.02
Rot. Bonds3

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

3,6-dichloro-N,N-diethyl-1,2,4-triazin-5-amine (PubChem CID 13073052) has the molecular formula C7H10Cl2N4 and a molecular weight of 221.09 g/mol. Its IUPAC name is 3,6-dichloro-N,N-diethyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N,N-diethyl-1,2,4-triazin-5-amine
PubChem CID13073052
Molecular FormulaC7H10Cl2N4
Molecular Weight221.09 g/mol
Exact Mass220.03
IUPAC Name3,6-dichloro-N,N-diethyl-1,2,4-triazin-5-amine
SMILESCCN(CC)c1nc(Cl)nnc1Cl
InChIInChI=1S/C7H10Cl2N4/c1-3-13(4-2)6-5(8)11-12-7(9)10-6/h3-4H2,1-2H3
InChIKeyRDXNVVBLODITBT-UHFFFAOYSA-N
XLogP2.02
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N,N-diethyl-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N,N-diethyl-1,2,4-triazin-5-amine (CID 13073052) is 3,6-dichloro-N,N-diethyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N,N-diethyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N,N-diethyl-1,2,4-triazin-5-amine is CCN(CC)c1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N,N-diethyl-1,2,4-triazin-5-amine?
The InChIKey is RDXNVVBLODITBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2N4/c1-3-13(4-2)6-5(8)11-12-7(9)10-6/h3-4H2,1-2H3.
What are the key properties of 3,6-dichloro-N,N-diethyl-1,2,4-triazin-5-amine?
3,6-dichloro-N,N-diethyl-1,2,4-triazin-5-amine has a molecular weight of 221.09 g/mol, XLogP of 2.02, 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-diethyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 13073052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).