2-[4-(6-hydrazinylpyrazin-2-yl)-1,4-diazepan-1-yl]ethanol

C11H20N6O — CID 107226836

IUPAC2-[4-(6-hydrazinylpyrazin-2-yl)-1,4-diazepan-1-yl]ethanol
SMILESNNc1cncc(N2CCCN(CCO)CC2)n1
InChIInChI=1S/C11H20N6O/c12-15-10-8-13-9-11(14-10)17-3-1-2-16(4-5-17)6-7-18/h8-9,18H,1-7,12H2,(H,14,15)
InChIKeyWMNXVXXDQPYYAE-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.73
Rot. Bonds4

About 2-[4-(6-hydrazinylpyrazin-2-yl)-1,4-diazepan-1-yl]ethanol

2-[4-(6-hydrazinylpyrazin-2-yl)-1,4-diazepan-1-yl]ethanol (PubChem CID 107226836) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[4-(6-hydrazinylpyrazin-2-yl)-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(6-hydrazinylpyrazin-2-yl)-1,4-diazepan-1-yl]ethanol
PubChem CID107226836
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name2-[4-(6-hydrazinylpyrazin-2-yl)-1,4-diazepan-1-yl]ethanol
SMILESNNc1cncc(N2CCCN(CCO)CC2)n1
InChIInChI=1S/C11H20N6O/c12-15-10-8-13-9-11(14-10)17-3-1-2-16(4-5-17)6-7-18/h8-9,18H,1-7,12H2,(H,14,15)
InChIKeyWMNXVXXDQPYYAE-UHFFFAOYSA-N
XLogP-0.73
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

2-[4-[6-(ethylamino)pyrazin-2-yl]piperazin-1-yl]ethanol
CID 78990415
2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanol
CID 63309595
2-[4-[6-(hydroxymethyl)pyrazin-2-yl]piperazin-1-yl]ethanol
CID 66465464
2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107226843
(6-morpholin-4-ylpyrazin-2-yl)hydrazine
CID 80928233
4-(6-hydrazinylpyrazin-2-yl)-1-methyl-1,4-diazepan-2-one
CID 102887981
2-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanol
CID 107226786
2-[4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107226856
2-[4-[(6-hydrazinyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol
CID 107226409
2-[4-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanol
CID 107226852
2-[4-(6-chloropyrazin-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 114335407
2-(4-quinolin-2-yl-1,4-diazepan-1-yl)ethanol
CID 63309594

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-hydrazinylpyrazin-2-yl)-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-(6-hydrazinylpyrazin-2-yl)-1,4-diazepan-1-yl]ethanol (CID 107226836) is 2-[4-(6-hydrazinylpyrazin-2-yl)-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-(6-hydrazinylpyrazin-2-yl)-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-(6-hydrazinylpyrazin-2-yl)-1,4-diazepan-1-yl]ethanol is NNc1cncc(N2CCCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-(6-hydrazinylpyrazin-2-yl)-1,4-diazepan-1-yl]ethanol?
The InChIKey is WMNXVXXDQPYYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c12-15-10-8-13-9-11(14-10)17-3-1-2-16(4-5-17)6-7-18/h8-9,18H,1-7,12H2,(H,14,15).
What are the key properties of 2-[4-(6-hydrazinylpyrazin-2-yl)-1,4-diazepan-1-yl]ethanol?
2-[4-(6-hydrazinylpyrazin-2-yl)-1,4-diazepan-1-yl]ethanol has a molecular weight of 252.32 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-hydrazinylpyrazin-2-yl)-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 107226836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).