4-(4-amino-3-bromoimidazo[1,5-a]pyrazin-4-ium-1-yl)-1-ethyl-6,7-dihydro-5H-indazol-4-ol

C15H18BrN6O+ — CID 118559025

IUPAC4-(4-amino-3-bromoimidazo[1,5-a]pyrazin-4-ium-1-yl)-1-ethyl-6,7-dihydro-5H-indazol-4-ol
SMILESCCn1ncc2c1CCCC2(O)C1=C2C=NC=C[N+]2(N)C(Br)=N1
InChIInChI=1S/C15H18BrN6O/c1-2-21-11-4-3-5-15(23,10(11)8-19-21)13-12-9-18-6-7-22(12,17)14(16)20-13/h6-9,23H,2-5,17H2,1H3/q+1
InChIKeyYCBAXBHOBMPJCN-UHFFFAOYSA-N
MW378.25 g/mol
LogP1.65
Rot. Bonds2

About 4-(4-amino-3-bromoimidazo[1,5-a]pyrazin-4-ium-1-yl)-1-ethyl-6,7-dihydro-5H-indazol-4-ol

4-(4-amino-3-bromoimidazo[1,5-a]pyrazin-4-ium-1-yl)-1-ethyl-6,7-dihydro-5H-indazol-4-ol (PubChem CID 118559025) has the molecular formula C15H18BrN6O+ and a molecular weight of 378.25 g/mol. Its IUPAC name is 4-(4-amino-3-bromoimidazo[1,5-a]pyrazin-4-ium-1-yl)-1-ethyl-6,7-dihydro-5H-indazol-4-ol.

Molecular Properties

Compound Name4-(4-amino-3-bromoimidazo[1,5-a]pyrazin-4-ium-1-yl)-1-ethyl-6,7-dihydro-5H-indazol-4-ol
PubChem CID118559025
Molecular FormulaC15H18BrN6O+
Molecular Weight378.25 g/mol
Exact Mass377.07
IUPAC Name4-(4-amino-3-bromoimidazo[1,5-a]pyrazin-4-ium-1-yl)-1-ethyl-6,7-dihydro-5H-indazol-4-ol
SMILESCCn1ncc2c1CCCC2(O)C1=C2C=NC=C[N+]2(N)C(Br)=N1
InChIInChI=1S/C15H18BrN6O/c1-2-21-11-4-3-5-15(23,10(11)8-19-21)13-12-9-18-6-7-22(12,17)14(16)20-13/h6-9,23H,2-5,17H2,1H3/q+1
InChIKeyYCBAXBHOBMPJCN-UHFFFAOYSA-N
XLogP1.65
TPSA88.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-amino-3-bromoimidazo[1,5-a]pyrazin-4-ium-1-yl)-1-methyl-6,7-dihydro-5H-indazol-4-ol
CID 71226781
4-(3-bromo-4H-imidazo[1,5-a]pyrazin-4-ium-1-yl)-1-methyl-6,7-dihydro-5H-indazol-4-ol chloride
CID 89389266
4-(4H-imidazo[1,5-a]pyrazin-4-ium-1-yl)-1-methyl-6,7-dihydro-5H-indazol-4-ol chloride
CID 89389481
4-(aminomethyl)-1-methyl-6,7-dihydro-5H-indazol-4-ol
CID 83906522
4-(aminomethyl)-2-methyl-6,7-dihydro-5H-indazol-4-ol
CID 83906523
4-(2-aminoethyl)-1-methyl-6,7-dihydro-5H-indazol-4-ol
CID 83907843
4-(2-aminoethyl)-2-methyl-6,7-dihydro-5H-indazol-4-ol
CID 83907844
4-(aminomethyl)-1,5-dimethyl-6,7-dihydro-5H-indazol-4-ol
CID 112715397
4-(Aminomethyl)-1,5,5-trimethyl-6,7-dihydroindazol-4-ol
CID 112716355

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-bromoimidazo[1,5-a]pyrazin-4-ium-1-yl)-1-ethyl-6,7-dihydro-5H-indazol-4-ol?
The IUPAC name of 4-(4-amino-3-bromoimidazo[1,5-a]pyrazin-4-ium-1-yl)-1-ethyl-6,7-dihydro-5H-indazol-4-ol (CID 118559025) is 4-(4-amino-3-bromoimidazo[1,5-a]pyrazin-4-ium-1-yl)-1-ethyl-6,7-dihydro-5H-indazol-4-ol.
What is the SMILES notation for 4-(4-amino-3-bromoimidazo[1,5-a]pyrazin-4-ium-1-yl)-1-ethyl-6,7-dihydro-5H-indazol-4-ol?
The canonical SMILES for 4-(4-amino-3-bromoimidazo[1,5-a]pyrazin-4-ium-1-yl)-1-ethyl-6,7-dihydro-5H-indazol-4-ol is CCn1ncc2c1CCCC2(O)C1=C2C=NC=C[N+]2(N)C(Br)=N1.
What is the InChIKey of 4-(4-amino-3-bromoimidazo[1,5-a]pyrazin-4-ium-1-yl)-1-ethyl-6,7-dihydro-5H-indazol-4-ol?
The InChIKey is YCBAXBHOBMPJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN6O/c1-2-21-11-4-3-5-15(23,10(11)8-19-21)13-12-9-18-6-7-22(12,17)14(16)20-13/h6-9,23H,2-5,17H2,1H3/q+1.
What are the key properties of 4-(4-amino-3-bromoimidazo[1,5-a]pyrazin-4-ium-1-yl)-1-ethyl-6,7-dihydro-5H-indazol-4-ol?
4-(4-amino-3-bromoimidazo[1,5-a]pyrazin-4-ium-1-yl)-1-ethyl-6,7-dihydro-5H-indazol-4-ol has a molecular weight of 378.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-bromoimidazo[1,5-a]pyrazin-4-ium-1-yl)-1-ethyl-6,7-dihydro-5H-indazol-4-ol is sourced from PubChem (CID 118559025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).