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

C9H14Cl2N4 — CID 81037998

IUPAC3,6-dichloro-N-hexan-2-yl-1,2,4-triazin-5-amine
SMILESCCCCC(C)Nc1nc(Cl)nnc1Cl
InChIInChI=1S/C9H14Cl2N4/c1-3-4-5-6(2)12-8-7(10)14-15-9(11)13-8/h6H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyUOZURUCNDKNBDT-UHFFFAOYSA-N
MW249.14 g/mol
LogP3.17
Rot. Bonds5

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

3,6-dichloro-N-hexan-2-yl-1,2,4-triazin-5-amine (PubChem CID 81037998) has the molecular formula C9H14Cl2N4 and a molecular weight of 249.14 g/mol. Its IUPAC name is 3,6-dichloro-N-hexan-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-hexan-2-yl-1,2,4-triazin-5-amine
PubChem CID81037998
Molecular FormulaC9H14Cl2N4
Molecular Weight249.14 g/mol
Exact Mass248.06
IUPAC Name3,6-dichloro-N-hexan-2-yl-1,2,4-triazin-5-amine
SMILESCCCCC(C)Nc1nc(Cl)nnc1Cl
InChIInChI=1S/C9H14Cl2N4/c1-3-4-5-6(2)12-8-7(10)14-15-9(11)13-8/h6H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyUOZURUCNDKNBDT-UHFFFAOYSA-N
XLogP3.17
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(3,6-dichloro-1,2,4-triazin-5-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 81038165
6-chloro-N-hexan-2-yl-4,5-dimethylpyridazin-3-amine
CID 63271524
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-propylpropanamide
CID 81036335
3,6-dichloro-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
CID 81036944
2-chloro-5-methyl-N-octan-2-ylpyrimidin-4-amine
CID 79076093
N-but-3-en-2-yl-3,6-dichloro-1,2,4-triazin-5-amine
CID 106195757
3,5-dichloro-6-N-hexan-2-ylpyridine-2,6-diamine
CID 102757808
3-[(3-amino-6-chloro-1,2,4-triazin-5-yl)amino]heptan-1-ol
CID 123847940
5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine
CID 80822478
N-hexan-2-yl-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114786676
5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine
CID 80822744
3,6-dichloro-N-(3-propoxypropyl)-1,2,4-triazin-5-amine
CID 82943113

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-hexan-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-hexan-2-yl-1,2,4-triazin-5-amine (CID 81037998) is 3,6-dichloro-N-hexan-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-hexan-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-hexan-2-yl-1,2,4-triazin-5-amine is CCCCC(C)Nc1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-hexan-2-yl-1,2,4-triazin-5-amine?
The InChIKey is UOZURUCNDKNBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2N4/c1-3-4-5-6(2)12-8-7(10)14-15-9(11)13-8/h6H,3-5H2,1-2H3,(H,12,13,15).
What are the key properties of 3,6-dichloro-N-hexan-2-yl-1,2,4-triazin-5-amine?
3,6-dichloro-N-hexan-2-yl-1,2,4-triazin-5-amine has a molecular weight of 249.14 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-hexan-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 81037998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).