4-[[(6-amino-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol

C12H18N4O3 — CID 106138650

IUPAC4-[[(6-amino-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESNc1cc([N+](=O)[O-])cc(NCC2CCC(O)CC2)n1
InChIInChI=1S/C12H18N4O3/c13-11-5-9(16(18)19)6-12(15-11)14-7-8-1-3-10(17)4-2-8/h5-6,8,10,17H,1-4,7H2,(H3,13,14,15)
InChIKeyYDEYSVRZEXFVGH-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.53
Rot. Bonds4

About 4-[[(6-amino-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol

4-[[(6-amino-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol (PubChem CID 106138650) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[[(6-amino-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(6-amino-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
PubChem CID106138650
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name4-[[(6-amino-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESNc1cc([N+](=O)[O-])cc(NCC2CCC(O)CC2)n1
InChIInChI=1S/C12H18N4O3/c13-11-5-9(16(18)19)6-12(15-11)14-7-8-1-3-10(17)4-2-8/h5-6,8,10,17H,1-4,7H2,(H3,13,14,15)
InChIKeyYDEYSVRZEXFVGH-UHFFFAOYSA-N
XLogP1.53
TPSA114.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.53
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'}

Analyze 4-[[(6-amino-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine
CID 114071044
4-[(2,6-difluoro-4-nitroanilino)methyl]cyclohexan-1-ol
CID 106130583
4-[[(6-aminopyrazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106137920
4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138505
4-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 106130818
4-[[(2-amino-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138501
3-[(6-amino-4-nitro-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol
CID 114094074
4-[(2-iodo-4-nitroanilino)methyl]cyclohexan-1-ol
CID 106130004
[2-[(6-amino-4-nitro-2-pyridinyl)amino]cyclohexyl]methanol
CID 106368323
6-(2-cyclopropylethoxy)-4-nitropyridin-2-amine
CID 106207493
4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138816
2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 103886515

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-amino-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(6-amino-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol (CID 106138650) is 4-[[(6-amino-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(6-amino-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(6-amino-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol is Nc1cc([N+](=O)[O-])cc(NCC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[(6-amino-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is YDEYSVRZEXFVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c13-11-5-9(16(18)19)6-12(15-11)14-7-8-1-3-10(17)4-2-8/h5-6,8,10,17H,1-4,7H2,(H3,13,14,15).
What are the key properties of 4-[[(6-amino-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
4-[[(6-amino-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 266.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-amino-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106138650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).