N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N-methylimidazo[1,2-a]pyrazin-8-amine

C12H13BrN6S — CID 80904273

IUPACN-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N-methylimidazo[1,2-a]pyrazin-8-amine
SMILESCN(Cc1csc(Br)c1)c1nc(NN)cn2ccnc12
InChIInChI=1S/C12H13BrN6S/c1-18(5-8-4-9(13)20-7-8)12-11-15-2-3-19(11)6-10(16-12)17-14/h2-4,6-7,17H,5,14H2,1H3
InChIKeyWEWUPHNMSCYEHD-UHFFFAOYSA-N
MW353.25 g/mol
LogP2.48
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N-methylimidazo[1,2-a]pyrazin-8-amine

N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N-methylimidazo[1,2-a]pyrazin-8-amine (PubChem CID 80904273) has the molecular formula C12H13BrN6S and a molecular weight of 353.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N-methylimidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N-methylimidazo[1,2-a]pyrazin-8-amine
PubChem CID80904273
Molecular FormulaC12H13BrN6S
Molecular Weight353.25 g/mol
Exact Mass352.01
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N-methylimidazo[1,2-a]pyrazin-8-amine
SMILESCN(Cc1csc(Br)c1)c1nc(NN)cn2ccnc12
InChIInChI=1S/C12H13BrN6S/c1-18(5-8-4-9(13)20-7-8)12-11-15-2-3-19(11)6-10(16-12)17-14/h2-4,6-7,17H,5,14H2,1H3
InChIKeyWEWUPHNMSCYEHD-UHFFFAOYSA-N
XLogP2.48
TPSA71.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N-methylimidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N-methylimidazo[1,2-a]pyrazin-8-amine (CID 80904273) is N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N-methylimidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N-methylimidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N-methylimidazo[1,2-a]pyrazin-8-amine is CN(Cc1csc(Br)c1)c1nc(NN)cn2ccnc12.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N-methylimidazo[1,2-a]pyrazin-8-amine?
The InChIKey is WEWUPHNMSCYEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN6S/c1-18(5-8-4-9(13)20-7-8)12-11-15-2-3-19(11)6-10(16-12)17-14/h2-4,6-7,17H,5,14H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N-methylimidazo[1,2-a]pyrazin-8-amine?
N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N-methylimidazo[1,2-a]pyrazin-8-amine has a molecular weight of 353.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N-methylimidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 80904273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).