N-methyl-8-(2-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine

C13H11N5O3 — CID 80875312

IUPACN-methyl-8-(2-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine
SMILESCNc1cn2ccnc2c(Oc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C13H11N5O3/c1-14-11-8-17-7-6-15-12(17)13(16-11)21-10-5-3-2-4-9(10)18(19)20/h2-8,14H,1H3
InChIKeyXENVGXZWPRUCJP-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.47
Rot. Bonds4

About N-methyl-8-(2-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine

N-methyl-8-(2-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine (PubChem CID 80875312) has the molecular formula C13H11N5O3 and a molecular weight of 285.26 g/mol. Its IUPAC name is N-methyl-8-(2-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine.

Molecular Properties

Compound NameN-methyl-8-(2-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine
PubChem CID80875312
Molecular FormulaC13H11N5O3
Molecular Weight285.26 g/mol
Exact Mass285.09
IUPAC NameN-methyl-8-(2-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine
SMILESCNc1cn2ccnc2c(Oc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C13H11N5O3/c1-14-11-8-17-7-6-15-12(17)13(16-11)21-10-5-3-2-4-9(10)18(19)20/h2-8,14H,1H3
InChIKeyXENVGXZWPRUCJP-UHFFFAOYSA-N
XLogP2.47
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

8-(3-chloro-2-fluorophenoxy)-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 116691368
8-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 80863100
8-(4-methoxyphenoxy)-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 80869300
N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875231
8-(5-bromo-2-chlorophenoxy)-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 80878972
8-(2-bromo-4-chlorophenoxy)-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 80881639
8-(4-bromo-2-chlorophenoxy)-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 80881596
8-(3,5-dichlorophenoxy)-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 80875199
N-methyl-8-(thiophen-2-ylmethoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80872591
8-(2-cyclopropylethoxy)-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 106207574
3-bromo-2-(2-nitrophenoxy)pyridine
CID 61373940
8-(2-methyl-5-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80878888

Frequently Asked Questions

What is the IUPAC name of N-methyl-8-(2-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine?
The IUPAC name of N-methyl-8-(2-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine (CID 80875312) is N-methyl-8-(2-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine.
What is the SMILES notation for N-methyl-8-(2-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine?
The canonical SMILES for N-methyl-8-(2-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine is CNc1cn2ccnc2c(Oc2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of N-methyl-8-(2-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine?
The InChIKey is XENVGXZWPRUCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3/c1-14-11-8-17-7-6-15-12(17)13(16-11)21-10-5-3-2-4-9(10)18(19)20/h2-8,14H,1H3.
What are the key properties of N-methyl-8-(2-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine?
N-methyl-8-(2-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine has a molecular weight of 285.26 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-(2-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine is sourced from PubChem (CID 80875312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).