2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine

C9H11N5O2 — CID 103746170

IUPAC2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine
SMILESCc1nc([N+](=O)[O-])c(Nn2cccc2)n1C
InChIInChI=1S/C9H11N5O2/c1-7-10-8(14(15)16)9(12(7)2)11-13-5-3-4-6-13/h3-6,11H,1-2H3
InChIKeyRSYPRIWSMMBDAH-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.31
Rot. Bonds3

About 2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine

2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine (PubChem CID 103746170) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine
PubChem CID103746170
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine
SMILESCc1nc([N+](=O)[O-])c(Nn2cccc2)n1C
InChIInChI=1S/C9H11N5O2/c1-7-10-8(14(15)16)9(12(7)2)11-13-5-3-4-6-13/h3-6,11H,1-2H3
InChIKeyRSYPRIWSMMBDAH-UHFFFAOYSA-N
XLogP1.31
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.31
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

1,3-dimethyl-4-nitro-N-pyrrol-1-ylpyrazol-5-amine
CID 79107523
2-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]acetate
CID 7200415
2-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]propane-1,3-diol
CID 103696551
N-[1-(furan-2-yl)ethyl]-2,3-dimethyl-5-nitroimidazol-4-amine
CID 49428433
2,3-dimethyl-N-[1-(4-methylphenyl)ethyl]-5-nitroimidazol-4-amine
CID 103554813
2,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitroimidazol-4-amine
CID 103554789
4-N-(2,3-dimethyl-5-nitroimidazol-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 103555044
2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-nitroimidazol-4-amine
CID 103883744
3-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-3-methylbutan-2-ol
CID 103554912
4-[[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382209
2,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitroimidazol-4-amine
CID 103554791
1-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]cyclopropane-1-carboxylic acid
CID 103554633

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine?
The IUPAC name of 2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine (CID 103746170) is 2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine.
What is the SMILES notation for 2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine?
The canonical SMILES for 2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine is Cc1nc([N+](=O)[O-])c(Nn2cccc2)n1C.
What is the InChIKey of 2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine?
The InChIKey is RSYPRIWSMMBDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-7-10-8(14(15)16)9(12(7)2)11-13-5-3-4-6-13/h3-6,11H,1-2H3.
What are the key properties of 2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine?
2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine has a molecular weight of 221.22 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine is sourced from PubChem (CID 103746170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).