3,6-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-5-amine

C8H7Cl2N5S — CID 81035750

IUPAC3,6-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-5-amine
SMILESClc1nnc(Cl)c(NCCc2cscn2)n1
InChIInChI=1S/C8H7Cl2N5S/c9-6-7(13-8(10)15-14-6)11-2-1-5-3-16-4-12-5/h3-4H,1-2H2,(H,11,13,15)
InChIKeyYPGRBAPYIRZEHB-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.29
Rot. Bonds4

About 3,6-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-5-amine

3,6-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-5-amine (PubChem CID 81035750) has the molecular formula C8H7Cl2N5S and a molecular weight of 276.15 g/mol. Its IUPAC name is 3,6-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-5-amine
PubChem CID81035750
Molecular FormulaC8H7Cl2N5S
Molecular Weight276.15 g/mol
Exact Mass274.98
IUPAC Name3,6-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-5-amine
SMILESClc1nnc(Cl)c(NCCc2cscn2)n1
InChIInChI=1S/C8H7Cl2N5S/c9-6-7(13-8(10)15-14-6)11-2-1-5-3-16-4-12-5/h3-4H,1-2H2,(H,11,13,15)
InChIKeyYPGRBAPYIRZEHB-UHFFFAOYSA-N
XLogP2.29
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-5-amine (CID 81035750) is 3,6-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-5-amine is Clc1nnc(Cl)c(NCCc2cscn2)n1.
What is the InChIKey of 3,6-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-5-amine?
The InChIKey is YPGRBAPYIRZEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N5S/c9-6-7(13-8(10)15-14-6)11-2-1-5-3-16-4-12-5/h3-4H,1-2H2,(H,11,13,15).
What are the key properties of 3,6-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-5-amine?
3,6-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-5-amine has a molecular weight of 276.15 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 81035750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).