1-(5-bromopyrimidin-2-yl)-1,2,4-triazole-3,5-diamine

C6H6BrN7 — CID 130156112

IUPAC1-(5-bromopyrimidin-2-yl)-1,2,4-triazole-3,5-diamine
SMILESNc1nc(N)n(-c2ncc(Br)cn2)n1
InChIInChI=1S/C6H6BrN7/c7-3-1-10-6(11-2-3)14-5(9)12-4(8)13-14/h1-2H,(H4,8,9,12,13)
InChIKeyFJKCLLKVGFZECY-UHFFFAOYSA-N
MW256.07 g/mol
LogP-0.02
Rot. Bonds1

About 1-(5-bromopyrimidin-2-yl)-1,2,4-triazole-3,5-diamine

1-(5-bromopyrimidin-2-yl)-1,2,4-triazole-3,5-diamine (PubChem CID 130156112) has the molecular formula C6H6BrN7 and a molecular weight of 256.07 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)-1,2,4-triazole-3,5-diamine
PubChem CID130156112
Molecular FormulaC6H6BrN7
Molecular Weight256.07 g/mol
Exact Mass254.99
IUPAC Name1-(5-bromopyrimidin-2-yl)-1,2,4-triazole-3,5-diamine
SMILESNc1nc(N)n(-c2ncc(Br)cn2)n1
InChIInChI=1S/C6H6BrN7/c7-3-1-10-6(11-2-3)14-5(9)12-4(8)13-14/h1-2H,(H4,8,9,12,13)
InChIKeyFJKCLLKVGFZECY-UHFFFAOYSA-N
XLogP-0.02
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.07
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-1-(5-bromo-3-chloro-2-pyridinyl)-1,2,4-triazol-3-amine
CID 103583004
1-(4-methylphenyl)-1,2,4-triazole-3,5-diamine
CID 21455595
5-bromo-1-(7-bromo-1,5-naphthyridin-4-yl)-1,2,4-triazol-3-amine
CID 103098993
1-isoquinolin-1-yl-1,2,4-triazole-3,5-diamine
CID 140735560
1-(5-bromopyrimidin-2-yl)azetidin-3-amine
CID 63873842
5-bromo-1-pyridin-2-yl-1,2,4-triazol-3-amine
CID 103098897
5-[(1S)-1-aminoethyl]-1-pyrimidin-2-yl-1,2,4-triazol-3-amine
CID 155586710
1-(5-bromopyrimidin-2-yl)-3-methylsulfonylindazole
CID 150893997
7-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane
CID 131198946
5-bromo-1-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-amine
CID 103098972
[(1S)-1-[2-(5-bromopyrimidin-2-yl)-1,2,4-triazol-3-yl]ethyl]azanium
CID 177145728
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,2,4-triazole-3,5-diamine
CID 1316345

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)-1,2,4-triazole-3,5-diamine?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)-1,2,4-triazole-3,5-diamine (CID 130156112) is 1-(5-bromopyrimidin-2-yl)-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)-1,2,4-triazole-3,5-diamine is Nc1nc(N)n(-c2ncc(Br)cn2)n1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)-1,2,4-triazole-3,5-diamine?
The InChIKey is FJKCLLKVGFZECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN7/c7-3-1-10-6(11-2-3)14-5(9)12-4(8)13-14/h1-2H,(H4,8,9,12,13).
What are the key properties of 1-(5-bromopyrimidin-2-yl)-1,2,4-triazole-3,5-diamine?
1-(5-bromopyrimidin-2-yl)-1,2,4-triazole-3,5-diamine has a molecular weight of 256.07 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 130156112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).