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

C8H8Cl2N6 — CID 81035381

IUPAC3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]-1,2,4-triazin-5-amine
SMILESCn1ccnc1CNc1nc(Cl)nnc1Cl
InChIInChI=1S/C8H8Cl2N6/c1-16-3-2-11-5(16)4-12-7-6(9)14-15-8(10)13-7/h2-3H,4H2,1H3,(H,12,13,15)
InChIKeyUEDLXUJYLQOODT-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.52
Rot. Bonds3

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

3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]-1,2,4-triazin-5-amine (PubChem CID 81035381) has the molecular formula C8H8Cl2N6 and a molecular weight of 259.10 g/mol. Its IUPAC name is 3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]-1,2,4-triazin-5-amine
PubChem CID81035381
Molecular FormulaC8H8Cl2N6
Molecular Weight259.10 g/mol
Exact Mass258.02
IUPAC Name3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]-1,2,4-triazin-5-amine
SMILESCn1ccnc1CNc1nc(Cl)nnc1Cl
InChIInChI=1S/C8H8Cl2N6/c1-16-3-2-11-5(16)4-12-7-6(9)14-15-8(10)13-7/h2-3H,4H2,1H3,(H,12,13,15)
InChIKeyUEDLXUJYLQOODT-UHFFFAOYSA-N
XLogP1.52
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.52
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-[(1-methylimidazol-2-yl)methyl]-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]-1,2,4-triazin-5-amine (CID 81035381) is 3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]-1,2,4-triazin-5-amine is Cn1ccnc1CNc1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]-1,2,4-triazin-5-amine?
The InChIKey is UEDLXUJYLQOODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N6/c1-16-3-2-11-5(16)4-12-7-6(9)14-15-8(10)13-7/h2-3H,4H2,1H3,(H,12,13,15).
What are the key properties of 3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]-1,2,4-triazin-5-amine?
3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]-1,2,4-triazin-5-amine has a molecular weight of 259.10 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 81035381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).