3,6-dichloro-5-(4,5-dimethylimidazol-1-yl)-1,2,4-triazine

C8H7Cl2N5 — CID 81037025

IUPAC3,6-dichloro-5-(4,5-dimethylimidazol-1-yl)-1,2,4-triazine
SMILESCc1ncn(-c2nc(Cl)nnc2Cl)c1C
InChIInChI=1S/C8H7Cl2N5/c1-4-5(2)15(3-11-4)7-6(9)13-14-8(10)12-7/h3H,1-2H3
InChIKeyWIEQKBSAPHYLDG-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.98
Rot. Bonds1

About 3,6-dichloro-5-(4,5-dimethylimidazol-1-yl)-1,2,4-triazine

3,6-dichloro-5-(4,5-dimethylimidazol-1-yl)-1,2,4-triazine (PubChem CID 81037025) has the molecular formula C8H7Cl2N5 and a molecular weight of 244.09 g/mol. Its IUPAC name is 3,6-dichloro-5-(4,5-dimethylimidazol-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-(4,5-dimethylimidazol-1-yl)-1,2,4-triazine
PubChem CID81037025
Molecular FormulaC8H7Cl2N5
Molecular Weight244.09 g/mol
Exact Mass243.01
IUPAC Name3,6-dichloro-5-(4,5-dimethylimidazol-1-yl)-1,2,4-triazine
SMILESCc1ncn(-c2nc(Cl)nnc2Cl)c1C
InChIInChI=1S/C8H7Cl2N5/c1-4-5(2)15(3-11-4)7-6(9)13-14-8(10)12-7/h3H,1-2H3
InChIKeyWIEQKBSAPHYLDG-UHFFFAOYSA-N
XLogP1.98
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-(4,5-dimethylimidazol-1-yl)-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-(4,5-dimethylimidazol-1-yl)-1,2,4-triazine (CID 81037025) is 3,6-dichloro-5-(4,5-dimethylimidazol-1-yl)-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-(4,5-dimethylimidazol-1-yl)-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-(4,5-dimethylimidazol-1-yl)-1,2,4-triazine is Cc1ncn(-c2nc(Cl)nnc2Cl)c1C.
What is the InChIKey of 3,6-dichloro-5-(4,5-dimethylimidazol-1-yl)-1,2,4-triazine?
The InChIKey is WIEQKBSAPHYLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N5/c1-4-5(2)15(3-11-4)7-6(9)13-14-8(10)12-7/h3H,1-2H3.
What are the key properties of 3,6-dichloro-5-(4,5-dimethylimidazol-1-yl)-1,2,4-triazine?
3,6-dichloro-5-(4,5-dimethylimidazol-1-yl)-1,2,4-triazine has a molecular weight of 244.09 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-(4,5-dimethylimidazol-1-yl)-1,2,4-triazine is sourced from PubChem (CID 81037025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).