ethane;5-nitro-4-N-prop-2-enylpyridine-3,4-diamine

C10H16N4O2 — CID 142972400

IUPACethane;5-nitro-4-N-prop-2-enylpyridine-3,4-diamine
SMILESC=CCNc1c(N)cncc1[N+](=O)[O-].CC
InChIInChI=1S/C8H10N4O2.C2H6/c1-2-3-11-8-6(9)4-10-5-7(8)12(13)14;1-2/h2,4-5H,1,3,9H2,(H,10,11);1-2H3
InChIKeyCWTPMVCZQJFGOZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.20
Rot. Bonds4

About ethane;5-nitro-4-N-prop-2-enylpyridine-3,4-diamine

ethane;5-nitro-4-N-prop-2-enylpyridine-3,4-diamine (PubChem CID 142972400) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethane;5-nitro-4-N-prop-2-enylpyridine-3,4-diamine.

Molecular Properties

Compound Nameethane;5-nitro-4-N-prop-2-enylpyridine-3,4-diamine
PubChem CID142972400
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Nameethane;5-nitro-4-N-prop-2-enylpyridine-3,4-diamine
SMILESC=CCNc1c(N)cncc1[N+](=O)[O-].CC
InChIInChI=1S/C8H10N4O2.C2H6/c1-2-3-11-8-6(9)4-10-5-7(8)12(13)14;1-2/h2,4-5H,1,3,9H2,(H,10,11);1-2H3
InChIKeyCWTPMVCZQJFGOZ-UHFFFAOYSA-N
XLogP2.20
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-5-nitropyridin-3-amine
CID 130705399
4-(difluoromethyl)-5-nitropyridin-3-amine
CID 130094685
4-fluoro-5-methyl-2-nitro-N-prop-2-enylaniline
CID 103591656
3-bromo-5-nitro-N-octylpyridin-4-amine
CID 103519442
N-(3-bromo-5-nitro-4-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 103519566
3-bromo-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-4-amine
CID 103519427
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-bromo-5-nitropyridin-4-amine
CID 103519650
3-bromo-N-(3-methylsulfanylpropyl)-5-nitropyridin-4-amine
CID 103878057
3-bromo-5-nitro-N-(2-propan-2-yloxyethyl)pyridin-4-amine
CID 113428729
4-N-(3-bromo-5-nitro-4-pyridinyl)benzene-1,4-diamine
CID 103519110
2-N-(3-bromo-5-nitro-4-pyridinyl)-2,4-dimethylpentane-1,2-diamine
CID 103519678
3-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-4-amine
CID 103519376

Frequently Asked Questions

What is the IUPAC name of ethane;5-nitro-4-N-prop-2-enylpyridine-3,4-diamine?
The IUPAC name of ethane;5-nitro-4-N-prop-2-enylpyridine-3,4-diamine (CID 142972400) is ethane;5-nitro-4-N-prop-2-enylpyridine-3,4-diamine.
What is the SMILES notation for ethane;5-nitro-4-N-prop-2-enylpyridine-3,4-diamine?
The canonical SMILES for ethane;5-nitro-4-N-prop-2-enylpyridine-3,4-diamine is C=CCNc1c(N)cncc1[N+](=O)[O-].CC.
What is the InChIKey of ethane;5-nitro-4-N-prop-2-enylpyridine-3,4-diamine?
The InChIKey is CWTPMVCZQJFGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2.C2H6/c1-2-3-11-8-6(9)4-10-5-7(8)12(13)14;1-2/h2,4-5H,1,3,9H2,(H,10,11);1-2H3.
What are the key properties of ethane;5-nitro-4-N-prop-2-enylpyridine-3,4-diamine?
ethane;5-nitro-4-N-prop-2-enylpyridine-3,4-diamine has a molecular weight of 224.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-nitro-4-N-prop-2-enylpyridine-3,4-diamine is sourced from PubChem (CID 142972400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).