N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-pyrazol-1-ylethanamine

C12H13BrN6 — CID 79164800

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESBrc1cn2c(CNCCn3cccn3)cnc2cn1
InChIInChI=1S/C12H13BrN6/c13-11-9-19-10(7-16-12(19)8-15-11)6-14-3-5-18-4-1-2-17-18/h1-2,4,7-9,14H,3,5-6H2
InChIKeyZJQLRPYCMKCTOQ-UHFFFAOYSA-N
MW321.18 g/mol
LogP1.48
Rot. Bonds5

About N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-pyrazol-1-ylethanamine

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-pyrazol-1-ylethanamine (PubChem CID 79164800) has the molecular formula C12H13BrN6 and a molecular weight of 321.18 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-pyrazol-1-ylethanamine
PubChem CID79164800
Molecular FormulaC12H13BrN6
Molecular Weight321.18 g/mol
Exact Mass320.04
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESBrc1cn2c(CNCCn3cccn3)cnc2cn1
InChIInChI=1S/C12H13BrN6/c13-11-9-19-10(7-16-12(19)8-15-11)6-14-3-5-18-4-1-2-17-18/h1-2,4,7-9,14H,3,5-6H2
InChIKeyZJQLRPYCMKCTOQ-UHFFFAOYSA-N
XLogP1.48
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol
CID 114331591
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(furan-2-yl)methanamine
CID 79176006
3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-N,N-dimethylpropanamide
CID 79164137
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,2-diethoxyethanamine
CID 79548562
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 79175631
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040343
3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,2-diol
CID 79164166
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 79166303
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine
CID 79177061
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 79164804
1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 114107215
3-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]benzonitrile
CID 79165705

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-pyrazol-1-ylethanamine (CID 79164800) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-pyrazol-1-ylethanamine is Brc1cn2c(CNCCn3cccn3)cnc2cn1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-pyrazol-1-ylethanamine?
The InChIKey is ZJQLRPYCMKCTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN6/c13-11-9-19-10(7-16-12(19)8-15-11)6-14-3-5-18-4-1-2-17-18/h1-2,4,7-9,14H,3,5-6H2.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-pyrazol-1-ylethanamine?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-pyrazol-1-ylethanamine has a molecular weight of 321.18 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 79164800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).