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

C8H12Cl2N4 — CID 81036078

IUPAC3,6-dichloro-N-ethyl-N-propyl-1,2,4-triazin-5-amine
SMILESCCCN(CC)c1nc(Cl)nnc1Cl
InChIInChI=1S/C8H12Cl2N4/c1-3-5-14(4-2)7-6(9)12-13-8(10)11-7/h3-5H2,1-2H3
InChIKeyWRHURCQAYBZDFY-UHFFFAOYSA-N
MW235.12 g/mol
LogP2.41
Rot. Bonds4

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

3,6-dichloro-N-ethyl-N-propyl-1,2,4-triazin-5-amine (PubChem CID 81036078) has the molecular formula C8H12Cl2N4 and a molecular weight of 235.12 g/mol. Its IUPAC name is 3,6-dichloro-N-ethyl-N-propyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-ethyl-N-propyl-1,2,4-triazin-5-amine
PubChem CID81036078
Molecular FormulaC8H12Cl2N4
Molecular Weight235.12 g/mol
Exact Mass234.04
IUPAC Name3,6-dichloro-N-ethyl-N-propyl-1,2,4-triazin-5-amine
SMILESCCCN(CC)c1nc(Cl)nnc1Cl
InChIInChI=1S/C8H12Cl2N4/c1-3-5-14(4-2)7-6(9)12-13-8(10)11-7/h3-5H2,1-2H3
InChIKeyWRHURCQAYBZDFY-UHFFFAOYSA-N
XLogP2.41
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Bis(diethylamino)-6-fluoro-1,2,4-triazine
CID 12927217
6-chloro-3-N-[2-(3,3,3-trifluoropropylamino)ethyl]-1,2,4-triazine-3,5-diamine
CID 118190556
3,6-dichloro-N,N-di(propan-2-yl)-1,2,4-triazin-5-amine
CID 13073048
3,6-dichloro-N,N-diethyl-1,2,4-triazin-5-amine
CID 13073052
3,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine
CID 81035201
3,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
CID 81036095
3,6-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
CID 81036135
3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
CID 81036533
3,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
CID 81036745
3,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
CID 81036746
3,6-Dichloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-triazine
CID 81037814
3,6-dichloro-N-(2,2-difluoroethyl)-N-methyl-1,2,4-triazin-5-amine
CID 116316453

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-ethyl-N-propyl-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-ethyl-N-propyl-1,2,4-triazin-5-amine (CID 81036078) is 3,6-dichloro-N-ethyl-N-propyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-ethyl-N-propyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-ethyl-N-propyl-1,2,4-triazin-5-amine is CCCN(CC)c1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-ethyl-N-propyl-1,2,4-triazin-5-amine?
The InChIKey is WRHURCQAYBZDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2N4/c1-3-5-14(4-2)7-6(9)12-13-8(10)11-7/h3-5H2,1-2H3.
What are the key properties of 3,6-dichloro-N-ethyl-N-propyl-1,2,4-triazin-5-amine?
3,6-dichloro-N-ethyl-N-propyl-1,2,4-triazin-5-amine has a molecular weight of 235.12 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-ethyl-N-propyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 81036078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).