1-cyclopropyl-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol

C12H18N4O3 — CID 80830213

IUPAC1-cyclopropyl-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol
SMILESCCNc1ccc([N+](=O)[O-])c(NCC(O)C2CC2)n1
InChIInChI=1S/C12H18N4O3/c1-2-13-11-6-5-9(16(18)19)12(15-11)14-7-10(17)8-3-4-8/h5-6,8,10,17H,2-4,7H2,1H3,(H2,13,14,15)
InChIKeyBCIOSICLLLADIW-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.60
Rot. Bonds7

About 1-cyclopropyl-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol

1-cyclopropyl-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol (PubChem CID 80830213) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol
PubChem CID80830213
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-cyclopropyl-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol
SMILESCCNc1ccc([N+](=O)[O-])c(NCC(O)C2CC2)n1
InChIInChI=1S/C12H18N4O3/c1-2-13-11-6-5-9(16(18)19)12(15-11)14-7-10(17)8-3-4-8/h5-6,8,10,17H,2-4,7H2,1H3,(H2,13,14,15)
InChIKeyBCIOSICLLLADIW-UHFFFAOYSA-N
XLogP1.60
TPSA100.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.60
H-Bond Donors ≤ 53
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-cyclopropyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanol
CID 80913877
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]pentan-1-ol
CID 80852386
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide
CID 80782745
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 106138108
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185
2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80771600
2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80774924
(2S)-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 80848436
6-N-ethyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine
CID 103065315
6-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-3-nitropyridine-2,6-diamine
CID 80790831
1-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 80842246

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol (CID 80830213) is 1-cyclopropyl-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol is CCNc1ccc([N+](=O)[O-])c(NCC(O)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol?
The InChIKey is BCIOSICLLLADIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-13-11-6-5-9(16(18)19)12(15-11)14-7-10(17)8-3-4-8/h5-6,8,10,17H,2-4,7H2,1H3,(H2,13,14,15).
What are the key properties of 1-cyclopropyl-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol?
1-cyclopropyl-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol has a molecular weight of 266.30 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 80830213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).