1-(methylamino)-3,5-dinitropyridin-4-one

C6H6N4O5 — CID 164703705

IUPAC1-(methylamino)-3,5-dinitropyridin-4-one
SMILESCNn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1
InChIInChI=1S/C6H6N4O5/c1-7-8-2-4(9(12)13)6(11)5(3-8)10(14)15/h2-3,7H,1H3
InChIKeyGVMBMRIYMVRGJB-UHFFFAOYSA-N
MW214.14 g/mol
LogP-0.16
Rot. Bonds3

About 1-(methylamino)-3,5-dinitropyridin-4-one

1-(methylamino)-3,5-dinitropyridin-4-one (PubChem CID 164703705) has the molecular formula C6H6N4O5 and a molecular weight of 214.14 g/mol. Its IUPAC name is 1-(methylamino)-3,5-dinitropyridin-4-one.

Molecular Properties

Compound Name1-(methylamino)-3,5-dinitropyridin-4-one
PubChem CID164703705
Molecular FormulaC6H6N4O5
Molecular Weight214.14 g/mol
Exact Mass214.03
IUPAC Name1-(methylamino)-3,5-dinitropyridin-4-one
SMILESCNn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1
InChIInChI=1S/C6H6N4O5/c1-7-8-2-4(9(12)13)6(11)5(3-8)10(14)15/h2-3,7H,1H3
InChIKeyGVMBMRIYMVRGJB-UHFFFAOYSA-N
XLogP-0.16
TPSA120.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 5-0.16
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

3,5-dinitro-1-[(3-nitrophenyl)methyl]pyridin-4-one
CID 125114610
3-bromo-1-[2-(methylaminomethyl)prop-2-enyl]-5-nitropyridin-4-one
CID 103072915
(2R,3S)-2-(3,5-dinitro-4-oxo-1-pyridinyl)-3-methylpentanoic acid
CID 125114914
3-bromo-1-[2-(diethylamino)ethyl]-5-nitropyridin-4-one
CID 86791788
N-methyl-2,3-dinitroaniline
CID 12620251
1-[2-(methylamino)ethyl]-5-nitropyrimidine-2,4-dione
CID 63799081
3-methyl-4-nitro-1,3-benzoxazol-2-one
CID 131842931
2-[(2,6-dinitrophenyl)diselanyl]-1,3-dinitrobenzene
CID 88784383
4-(methylamino)-2,6-dinitrophenol
CID 5483985
2-chloro-N,4-dimethyl-6-nitroaniline
CID 21161522
(Z)-4-(3-bromo-5-nitro-4-oxo-1-pyridinyl)-2-methylbut-2-enoic acid
CID 113359261
3-bromo-1-[2-(bromomethyl)-3-methylbutyl]-5-nitropyridin-4-one
CID 103961694

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3,5-dinitropyridin-4-one?
The IUPAC name of 1-(methylamino)-3,5-dinitropyridin-4-one (CID 164703705) is 1-(methylamino)-3,5-dinitropyridin-4-one.
What is the SMILES notation for 1-(methylamino)-3,5-dinitropyridin-4-one?
The canonical SMILES for 1-(methylamino)-3,5-dinitropyridin-4-one is CNn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(methylamino)-3,5-dinitropyridin-4-one?
The InChIKey is GVMBMRIYMVRGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O5/c1-7-8-2-4(9(12)13)6(11)5(3-8)10(14)15/h2-3,7H,1H3.
What are the key properties of 1-(methylamino)-3,5-dinitropyridin-4-one?
1-(methylamino)-3,5-dinitropyridin-4-one has a molecular weight of 214.14 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3,5-dinitropyridin-4-one is sourced from PubChem (CID 164703705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).