3,6-dichloro-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine

C10H9Cl2N5 — CID 81036321

IUPAC3,6-dichloro-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine
SMILESClc1nnc(Cl)c(NCCc2ccncc2)n1
InChIInChI=1S/C10H9Cl2N5/c11-8-9(15-10(12)17-16-8)14-6-3-7-1-4-13-5-2-7/h1-2,4-5H,3,6H2,(H,14,15,17)
InChIKeyGOOOPSPYRZOHBY-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.23
Rot. Bonds4

About 3,6-dichloro-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine

3,6-dichloro-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine (PubChem CID 81036321) has the molecular formula C10H9Cl2N5 and a molecular weight of 270.12 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine
PubChem CID81036321
Molecular FormulaC10H9Cl2N5
Molecular Weight270.12 g/mol
Exact Mass269.02
IUPAC Name3,6-dichloro-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine
SMILESClc1nnc(Cl)c(NCCc2ccncc2)n1
InChIInChI=1S/C10H9Cl2N5/c11-8-9(15-10(12)17-16-8)14-6-3-7-1-4-13-5-2-7/h1-2,4-5H,3,6H2,(H,14,15,17)
InChIKeyGOOOPSPYRZOHBY-UHFFFAOYSA-N
XLogP2.23
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2,4-triazin-5-amine
CID 81037315
6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80717013
3,6-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-5-amine
CID 81035750
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]propan-1-ol
CID 81038146
3,6-dichloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazin-5-amine
CID 81037852
3,6-dichloro-N-(3,3-difluoropropyl)-1,2,4-triazin-5-amine
CID 130631788
3,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazin-5-amine
CID 81035957
5-chloro-2-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80791754
2-chloro-N-(2-pyridin-4-ylethyl)aniline
CID 45156427
2,4,5-trichloro-N-(2-pyridin-4-ylethyl)aniline
CID 60864708
N-(2-pyridin-4-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 79508874
3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile
CID 62671465

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine (CID 81036321) is 3,6-dichloro-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine is Clc1nnc(Cl)c(NCCc2ccncc2)n1.
What is the InChIKey of 3,6-dichloro-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine?
The InChIKey is GOOOPSPYRZOHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5/c11-8-9(15-10(12)17-16-8)14-6-3-7-1-4-13-5-2-7/h1-2,4-5H,3,6H2,(H,14,15,17).
What are the key properties of 3,6-dichloro-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine has a molecular weight of 270.12 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 81036321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).