[1-[(5-hydrazinylpyrazin-2-yl)methyl]azepan-2-yl]methanol

C12H21N5O — CID 103061233

IUPAC[1-[(5-hydrazinylpyrazin-2-yl)methyl]azepan-2-yl]methanol
SMILESNNc1cnc(CN2CCCCCC2CO)cn1
InChIInChI=1S/C12H21N5O/c13-16-12-7-14-10(6-15-12)8-17-5-3-1-2-4-11(17)9-18/h6-7,11,18H,1-5,8-9,13H2,(H,15,16)
InChIKeySJCUJFKNIKWRHV-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.50
Rot. Bonds4

About [1-[(5-hydrazinylpyrazin-2-yl)methyl]azepan-2-yl]methanol

[1-[(5-hydrazinylpyrazin-2-yl)methyl]azepan-2-yl]methanol (PubChem CID 103061233) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is [1-[(5-hydrazinylpyrazin-2-yl)methyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[(5-hydrazinylpyrazin-2-yl)methyl]azepan-2-yl]methanol
PubChem CID103061233
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name[1-[(5-hydrazinylpyrazin-2-yl)methyl]azepan-2-yl]methanol
SMILESNNc1cnc(CN2CCCCCC2CO)cn1
InChIInChI=1S/C12H21N5O/c13-16-12-7-14-10(6-15-12)8-17-5-3-1-2-4-11(17)9-18/h6-7,11,18H,1-5,8-9,13H2,(H,15,16)
InChIKeySJCUJFKNIKWRHV-UHFFFAOYSA-N
XLogP0.50
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-[(5-hydrazinylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 103060627
[1-[(5-aminopyrazin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 103056039
[5-[(2,3-dimethylpiperidin-1-yl)methyl]pyrazin-2-yl]hydrazine
CID 103060476
[1-[(4-hydrazinyl-2-pyridinyl)methyl]piperidin-2-yl]methanol
CID 79260280
[1-[(6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 79243297
2-[(5-hydrazinylpyrazin-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 103061142
[1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]piperidin-2-yl]methanol
CID 62890632
[1-[(4-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 79260186
[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanol
CID 94336697
[(2S)-1-[(2-cyclohexylpyrimidin-5-yl)methyl]azepan-2-yl]methanol
CID 99929248
[5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]pyrazin-2-yl]hydrazine
CID 103061242
[4-[(5-hydrazinylpyrazin-2-yl)methyl]morpholin-2-yl]methanol
CID 103061147

Frequently Asked Questions

What is the IUPAC name of [1-[(5-hydrazinylpyrazin-2-yl)methyl]azepan-2-yl]methanol?
The IUPAC name of [1-[(5-hydrazinylpyrazin-2-yl)methyl]azepan-2-yl]methanol (CID 103061233) is [1-[(5-hydrazinylpyrazin-2-yl)methyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[(5-hydrazinylpyrazin-2-yl)methyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[(5-hydrazinylpyrazin-2-yl)methyl]azepan-2-yl]methanol is NNc1cnc(CN2CCCCCC2CO)cn1.
What is the InChIKey of [1-[(5-hydrazinylpyrazin-2-yl)methyl]azepan-2-yl]methanol?
The InChIKey is SJCUJFKNIKWRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c13-16-12-7-14-10(6-15-12)8-17-5-3-1-2-4-11(17)9-18/h6-7,11,18H,1-5,8-9,13H2,(H,15,16).
What are the key properties of [1-[(5-hydrazinylpyrazin-2-yl)methyl]azepan-2-yl]methanol?
[1-[(5-hydrazinylpyrazin-2-yl)methyl]azepan-2-yl]methanol has a molecular weight of 251.33 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-hydrazinylpyrazin-2-yl)methyl]azepan-2-yl]methanol is sourced from PubChem (CID 103061233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).