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

C9H8Cl2N4S — CID 81036300

IUPAC3,6-dichloro-N-(2-thiophen-2-ylethyl)-1,2,4-triazin-5-amine
SMILESClc1nnc(Cl)c(NCCc2cccs2)n1
InChIInChI=1S/C9H8Cl2N4S/c10-7-8(13-9(11)15-14-7)12-4-3-6-2-1-5-16-6/h1-2,5H,3-4H2,(H,12,13,15)
InChIKeyBGMXGQAJOKMEKL-UHFFFAOYSA-N
MW275.16 g/mol
LogP2.89
Rot. Bonds4

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

3,6-dichloro-N-(2-thiophen-2-ylethyl)-1,2,4-triazin-5-amine (PubChem CID 81036300) has the molecular formula C9H8Cl2N4S and a molecular weight of 275.16 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-thiophen-2-ylethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(2-thiophen-2-ylethyl)-1,2,4-triazin-5-amine
PubChem CID81036300
Molecular FormulaC9H8Cl2N4S
Molecular Weight275.16 g/mol
Exact Mass273.98
IUPAC Name3,6-dichloro-N-(2-thiophen-2-ylethyl)-1,2,4-triazin-5-amine
SMILESClc1nnc(Cl)c(NCCc2cccs2)n1
InChIInChI=1S/C9H8Cl2N4S/c10-7-8(13-9(11)15-14-7)12-4-3-6-2-1-5-16-6/h1-2,5H,3-4H2,(H,12,13,15)
InChIKeyBGMXGQAJOKMEKL-UHFFFAOYSA-N
XLogP2.89
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,6-dichloro-N-(2-thiophen-2-ylethyl)-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

Related Compounds

6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine
CID 63271585
2-chloro-5-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 79075871
2-chloro-6-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 114043536
3,6-dichloro-5-(thiophen-2-ylmethoxy)-1,2,4-triazine
CID 81036270
6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 23477636
2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320512
6-chloro-5-methyl-2-propyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80971140
2-chloro-N-(2-thiophen-2-ylethyl)aniline
CID 63773970
3,5-difluoro-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine
CID 114074049
N-(2-thiophen-2-ylethyl)pyridazin-3-amine
CID 62481413
3-chloro-5-(2-thiophen-2-ylethoxy)-1,2,4-triazine
CID 115001002
4-N-(2-chloro-3-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19154358

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-thiophen-2-ylethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-(2-thiophen-2-ylethyl)-1,2,4-triazin-5-amine (CID 81036300) is 3,6-dichloro-N-(2-thiophen-2-ylethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-(2-thiophen-2-ylethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-(2-thiophen-2-ylethyl)-1,2,4-triazin-5-amine is Clc1nnc(Cl)c(NCCc2cccs2)n1.
What is the InChIKey of 3,6-dichloro-N-(2-thiophen-2-ylethyl)-1,2,4-triazin-5-amine?
The InChIKey is BGMXGQAJOKMEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4S/c10-7-8(13-9(11)15-14-7)12-4-3-6-2-1-5-16-6/h1-2,5H,3-4H2,(H,12,13,15).
What are the key properties of 3,6-dichloro-N-(2-thiophen-2-ylethyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-(2-thiophen-2-ylethyl)-1,2,4-triazin-5-amine has a molecular weight of 275.16 g/mol, XLogP of 2.89, 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-thiophen-2-ylethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 81036300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).