4-(4-bromopyrazol-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine

C10H9BrN8 — CID 80853368

IUPAC4-(4-bromopyrazol-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(-n2ccnc2)nc(-n2cc(Br)cn2)n1
InChIInChI=1S/C10H9BrN8/c1-12-8-15-9(18-3-2-13-6-18)17-10(16-8)19-5-7(11)4-14-19/h2-6H,1H3,(H,12,15,16,17)
InChIKeyGJBHFPVRUPRWIA-UHFFFAOYSA-N
MW321.14 g/mol
LogP1.05
Rot. Bonds3

About 4-(4-bromopyrazol-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine

4-(4-bromopyrazol-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80853368) has the molecular formula C10H9BrN8 and a molecular weight of 321.14 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
PubChem CID80853368
Molecular FormulaC10H9BrN8
Molecular Weight321.14 g/mol
Exact Mass320.01
IUPAC Name4-(4-bromopyrazol-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(-n2ccnc2)nc(-n2cc(Br)cn2)n1
InChIInChI=1S/C10H9BrN8/c1-12-8-15-9(18-3-2-13-6-18)17-10(16-8)19-5-7(11)4-14-19/h2-6H,1H3,(H,12,15,16,17)
InChIKeyGJBHFPVRUPRWIA-UHFFFAOYSA-N
XLogP1.05
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.14
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine (CID 80853368) is 4-(4-bromopyrazol-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine is CNc1nc(-n2ccnc2)nc(-n2cc(Br)cn2)n1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is GJBHFPVRUPRWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN8/c1-12-8-15-9(18-3-2-13-6-18)17-10(16-8)19-5-7(11)4-14-19/h2-6H,1H3,(H,12,15,16,17).
What are the key properties of 4-(4-bromopyrazol-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine?
4-(4-bromopyrazol-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 321.14 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80853368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).