6-bromo-5H-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

C5H6BrN5 — CID 87479583

IUPAC6-bromo-5H-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESNc1nc2n(n1)CN(Br)C=C2
InChIInChI=1S/C5H6BrN5/c6-10-2-1-4-8-5(7)9-11(4)3-10/h1-2H,3H2,(H2,7,9)
InChIKeyQUUAQTGGFCYSBR-UHFFFAOYSA-N
MW216.04 g/mol
LogP0.41
Rot. Bonds

About 6-bromo-5H-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

6-bromo-5H-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (PubChem CID 87479583) has the molecular formula C5H6BrN5 and a molecular weight of 216.04 g/mol. Its IUPAC name is 6-bromo-5H-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.

Molecular Properties

Compound Name6-bromo-5H-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
PubChem CID87479583
Molecular FormulaC5H6BrN5
Molecular Weight216.04 g/mol
Exact Mass214.98
IUPAC Name6-bromo-5H-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESNc1nc2n(n1)CN(Br)C=C2
InChIInChI=1S/C5H6BrN5/c6-10-2-1-4-8-5(7)9-11(4)3-10/h1-2H,3H2,(H2,7,9)
InChIKeyQUUAQTGGFCYSBR-UHFFFAOYSA-N
XLogP0.41
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.04
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine
CID 68709462
1,5-Bis(ethenyl)-3-methyl-1,2,4-triazole
CID 70225297
7-chloro-8H-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 89813282
5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
CID 90299134
6-bromo-5H-[1,2,4]triazolo[4,3-c]pyrimidine
CID 117630031
6-bromo-5H-[1,2,4]triazolo[1,5-c]pyrimidine
CID 117729130
N,5-dimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
CID 118675366
9-Methyl-1,4,8,10-tetrazabicyclo[5.3.0]deca-2,4,5,7,9-pentaene
CID 126658836
N-[(Z)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethenyl]methanimine
CID 126658881
1,5-Bis(ethenyl)-1,2,4-triazole
CID 126685157
2-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,4-triazol-3-amine
CID 134578471
2-Methyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136134153

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5H-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The IUPAC name of 6-bromo-5H-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (CID 87479583) is 6-bromo-5H-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.
What is the SMILES notation for 6-bromo-5H-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The canonical SMILES for 6-bromo-5H-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is Nc1nc2n(n1)CN(Br)C=C2.
What is the InChIKey of 6-bromo-5H-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The InChIKey is QUUAQTGGFCYSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN5/c6-10-2-1-4-8-5(7)9-11(4)3-10/h1-2H,3H2,(H2,7,9).
What are the key properties of 6-bromo-5H-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
6-bromo-5H-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine has a molecular weight of 216.04 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5H-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is sourced from PubChem (CID 87479583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).