3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-5-nitroaniline

C13H15N5O2 — CID 80811127

IUPAC3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-5-nitroaniline
SMILESCNc1cc(N2CCn3ccnc3C2)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H15N5O2/c1-14-10-6-11(8-12(7-10)18(19)20)17-5-4-16-3-2-15-13(16)9-17/h2-3,6-8,14H,4-5,9H2,1H3
InChIKeyYIJXPGJTEDDGBR-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.85
Rot. Bonds3

About 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-5-nitroaniline

3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-5-nitroaniline (PubChem CID 80811127) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-5-nitroaniline.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-5-nitroaniline
PubChem CID80811127
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-5-nitroaniline
SMILESCNc1cc(N2CCn3ccnc3C2)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H15N5O2/c1-14-10-6-11(8-12(7-10)18(19)20)17-5-4-16-3-2-15-13(16)9-17/h2-3,6-8,14H,4-5,9H2,1H3
InChIKeyYIJXPGJTEDDGBR-UHFFFAOYSA-N
XLogP1.85
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-[3-(methylamino)-5-nitrophenyl]-1,4-diazepan-2-one
CID 80843064
1-[3-(methylamino)-5-nitrophenyl]-1,4-diazepan-5-one
CID 80831405
3-imidazol-1-yl-N-methyl-5-nitroaniline
CID 80853139
3-(2,6-dimethylmorpholin-4-yl)-N-methyl-5-nitroaniline
CID 80763894
N,N-dimethyl-1-[3-(methylamino)-5-nitrophenyl]pyrrolidin-3-amine
CID 80831522
1-N,3-N-dimethyl-5-nitrobenzene-1,3-diamine
CID 80770276
[1-[3-(methylamino)-5-nitrophenyl]pyrrolidin-3-yl]methanol
CID 112629547
N-methyl-3-(2-methylpyrrolidin-1-yl)-5-nitroaniline
CID 80790491
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline
CID 63015338
3,5-dichloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methylpyridin-2-amine
CID 102758125
N-methyl-3-nitro-5-(2-propan-2-ylpyrrolidin-1-yl)aniline
CID 80855819
[3-(2-methylimidazol-1-yl)-5-nitrophenyl]hydrazine
CID 80902141

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-5-nitroaniline?
The IUPAC name of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-5-nitroaniline (CID 80811127) is 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-5-nitroaniline.
What is the SMILES notation for 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-5-nitroaniline?
The canonical SMILES for 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-5-nitroaniline is CNc1cc(N2CCn3ccnc3C2)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-5-nitroaniline?
The InChIKey is YIJXPGJTEDDGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-14-10-6-11(8-12(7-10)18(19)20)17-5-4-16-3-2-15-13(16)9-17/h2-3,6-8,14H,4-5,9H2,1H3.
What are the key properties of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-5-nitroaniline?
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-5-nitroaniline has a molecular weight of 273.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methyl-5-nitroaniline is sourced from PubChem (CID 80811127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).