3-[[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol

C12H18F2N4O — CID 106138792

IUPAC3-[[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESNNc1nc(NCC2CCCC(O)C2)c(F)cc1F
InChIInChI=1S/C12H18F2N4O/c13-9-5-10(14)12(18-15)17-11(9)16-6-7-2-1-3-8(19)4-7/h5,7-8,19H,1-4,6,15H2,(H2,16,17,18)
InChIKeyHVCSVQIOHHWXDV-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.61
Rot. Bonds4

About 3-[[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol

3-[[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol (PubChem CID 106138792) has the molecular formula C12H18F2N4O and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
PubChem CID106138792
Molecular FormulaC12H18F2N4O
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name3-[[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESNNc1nc(NCC2CCCC(O)C2)c(F)cc1F
InChIInChI=1S/C12H18F2N4O/c13-9-5-10(14)12(18-15)17-11(9)16-6-7-2-1-3-8(19)4-7/h5,7-8,19H,1-4,6,15H2,(H2,16,17,18)
InChIKeyHVCSVQIOHHWXDV-UHFFFAOYSA-N
XLogP1.61
TPSA83.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol (CID 106138792) is 3-[[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol is NNc1nc(NCC2CCCC(O)C2)c(F)cc1F.
What is the InChIKey of 3-[[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is HVCSVQIOHHWXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4O/c13-9-5-10(14)12(18-15)17-11(9)16-6-7-2-1-3-8(19)4-7/h5,7-8,19H,1-4,6,15H2,(H2,16,17,18).
What are the key properties of 3-[[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
3-[[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 272.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106138792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).