6-(2-bromophenyl)-1,2,4-triazine-3,5-diamine;methanol

C11H16BrN5O2 — CID 139055217

IUPAC6-(2-bromophenyl)-1,2,4-triazine-3,5-diamine;methanol
SMILESCO.CO.Nc1nnc(-c2ccccc2Br)c(N)n1
InChIInChI=1S/C9H8BrN5.2CH4O/c10-6-4-2-1-3-5(6)7-8(11)13-9(12)15-14-7;2*1-2/h1-4H,(H4,11,12,13,15);2*2H,1H3
InChIKeyAWPBRVYBPKALFW-UHFFFAOYSA-N
MW330.19 g/mol
LogP0.68
Rot. Bonds1

About 6-(2-bromophenyl)-1,2,4-triazine-3,5-diamine;methanol

6-(2-bromophenyl)-1,2,4-triazine-3,5-diamine;methanol (PubChem CID 139055217) has the molecular formula C11H16BrN5O2 and a molecular weight of 330.19 g/mol. Its IUPAC name is 6-(2-bromophenyl)-1,2,4-triazine-3,5-diamine;methanol.

Molecular Properties

Compound Name6-(2-bromophenyl)-1,2,4-triazine-3,5-diamine;methanol
PubChem CID139055217
Molecular FormulaC11H16BrN5O2
Molecular Weight330.19 g/mol
Exact Mass329.05
IUPAC Name6-(2-bromophenyl)-1,2,4-triazine-3,5-diamine;methanol
SMILESCO.CO.Nc1nnc(-c2ccccc2Br)c(N)n1
InChIInChI=1S/C9H8BrN5.2CH4O/c10-6-4-2-1-3-5(6)7-8(11)13-9(12)15-14-7;2*1-2/h1-4H,(H4,11,12,13,15);2*2H,1H3
InChIKeyAWPBRVYBPKALFW-UHFFFAOYSA-N
XLogP0.68
TPSA131.17 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)-1,2,4-triazine-3,5-diamine;methanol?
The IUPAC name of 6-(2-bromophenyl)-1,2,4-triazine-3,5-diamine;methanol (CID 139055217) is 6-(2-bromophenyl)-1,2,4-triazine-3,5-diamine;methanol.
What is the SMILES notation for 6-(2-bromophenyl)-1,2,4-triazine-3,5-diamine;methanol?
The canonical SMILES for 6-(2-bromophenyl)-1,2,4-triazine-3,5-diamine;methanol is CO.CO.Nc1nnc(-c2ccccc2Br)c(N)n1.
What is the InChIKey of 6-(2-bromophenyl)-1,2,4-triazine-3,5-diamine;methanol?
The InChIKey is AWPBRVYBPKALFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN5.2CH4O/c10-6-4-2-1-3-5(6)7-8(11)13-9(12)15-14-7;2*1-2/h1-4H,(H4,11,12,13,15);2*2H,1H3.
What are the key properties of 6-(2-bromophenyl)-1,2,4-triazine-3,5-diamine;methanol?
6-(2-bromophenyl)-1,2,4-triazine-3,5-diamine;methanol has a molecular weight of 330.19 g/mol, XLogP of 0.68, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)-1,2,4-triazine-3,5-diamine;methanol is sourced from PubChem (CID 139055217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).