8-(2-methyl-5-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine

C13H11N5O3 — CID 80878888

IUPAC8-(2-methyl-5-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine
SMILESCc1ccc([N+](=O)[O-])cc1Oc1nc(N)cn2ccnc12
InChIInChI=1S/C13H11N5O3/c1-8-2-3-9(18(19)20)6-10(8)21-13-12-15-4-5-17(12)7-11(14)16-13/h2-7H,14H2,1H3
InChIKeyPHZFMGZYTCLYDW-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.32
Rot. Bonds3

About 8-(2-methyl-5-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine

8-(2-methyl-5-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine (PubChem CID 80878888) has the molecular formula C13H11N5O3 and a molecular weight of 285.26 g/mol. Its IUPAC name is 8-(2-methyl-5-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine.

Molecular Properties

Compound Name8-(2-methyl-5-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine
PubChem CID80878888
Molecular FormulaC13H11N5O3
Molecular Weight285.26 g/mol
Exact Mass285.09
IUPAC Name8-(2-methyl-5-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine
SMILESCc1ccc([N+](=O)[O-])cc1Oc1nc(N)cn2ccnc12
InChIInChI=1S/C13H11N5O3/c1-8-2-3-9(18(19)20)6-10(8)21-13-12-15-4-5-17(12)7-11(14)16-13/h2-7H,14H2,1H3
InChIKeyPHZFMGZYTCLYDW-UHFFFAOYSA-N
XLogP2.32
TPSA108.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.32
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-(2-methyl-5-propan-2-ylphenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80875088
2-(2-methyl-5-nitrophenoxy)pyrimidin-4-amine
CID 116797824
8-(4-bromo-2-methylphenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80879807
8-(5-bromo-2,3-difluorophenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 107102607
5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine
CID 79075514
1-methyl-2-(2-methylphenoxy)-4-nitrobenzene
CID 141213326
3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 113413889
[2-methyl-6-(2-methyl-5-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920604
[3,5-dichloro-6-(2-methyl-5-nitrophenoxy)-2-pyridinyl]hydrazine
CID 102762949
6-(2-methyl-5-nitrophenoxy)-5-propylpyrimidin-4-amine
CID 80878866
N-methyl-8-(2-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80875312
2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine
CID 83269016

Frequently Asked Questions

What is the IUPAC name of 8-(2-methyl-5-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine?
The IUPAC name of 8-(2-methyl-5-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine (CID 80878888) is 8-(2-methyl-5-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine.
What is the SMILES notation for 8-(2-methyl-5-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine?
The canonical SMILES for 8-(2-methyl-5-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine is Cc1ccc([N+](=O)[O-])cc1Oc1nc(N)cn2ccnc12.
What is the InChIKey of 8-(2-methyl-5-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine?
The InChIKey is PHZFMGZYTCLYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3/c1-8-2-3-9(18(19)20)6-10(8)21-13-12-15-4-5-17(12)7-11(14)16-13/h2-7H,14H2,1H3.
What are the key properties of 8-(2-methyl-5-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine?
8-(2-methyl-5-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine has a molecular weight of 285.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methyl-5-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine is sourced from PubChem (CID 80878888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).