2-[4-[(6-hydrazinyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol

C13H23N5O — CID 107226409

IUPAC2-[4-[(6-hydrazinyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol
SMILESNNc1cccc(CN2CCCN(CCO)CC2)n1
InChIInChI=1S/C13H23N5O/c14-16-13-4-1-3-12(15-13)11-18-6-2-5-17(7-8-18)9-10-19/h1,3-4,19H,2,5-11,14H2,(H,15,16)
InChIKeyVQHLNSOPZYUPIF-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.13
Rot. Bonds5

About 2-[4-[(6-hydrazinyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol

2-[4-[(6-hydrazinyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol (PubChem CID 107226409) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[4-[(6-hydrazinyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(6-hydrazinyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol
PubChem CID107226409
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[4-[(6-hydrazinyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol
SMILESNNc1cccc(CN2CCCN(CCO)CC2)n1
InChIInChI=1S/C13H23N5O/c14-16-13-4-1-3-12(15-13)11-18-6-2-5-17(7-8-18)9-10-19/h1,3-4,19H,2,5-11,14H2,(H,15,16)
InChIKeyVQHLNSOPZYUPIF-UHFFFAOYSA-N
XLogP-0.13
TPSA77.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.13
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'}

Analyze 2-[4-[(6-hydrazinyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

[6-(azetidin-1-ylmethyl)-2-pyridinyl]hydrazine
CID 126980714
[6-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-pyridinyl]hydrazine
CID 79242779
[6-(1,4-oxazepan-4-ylmethyl)-2-pyridinyl]hydrazine
CID 79231202
6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridine-2-carbohydrazide
CID 106908998
[6-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 79234596
[6-[(4-propan-2-ylazepan-1-yl)methyl]-2-pyridinyl]hydrazine
CID 79233623
N-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine
CID 79242714
[6-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 79234141
2-[4-[(2-hydrazinyl-4-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol
CID 107226403
[6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 79234166
[6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 114539521
[1-[(6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 79243297

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-hydrazinyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-[(6-hydrazinyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol (CID 107226409) is 2-[4-[(6-hydrazinyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(6-hydrazinyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-[(6-hydrazinyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol is NNc1cccc(CN2CCCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[(6-hydrazinyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol?
The InChIKey is VQHLNSOPZYUPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c14-16-13-4-1-3-12(15-13)11-18-6-2-5-17(7-8-18)9-10-19/h1,3-4,19H,2,5-11,14H2,(H,15,16).
What are the key properties of 2-[4-[(6-hydrazinyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol?
2-[4-[(6-hydrazinyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol has a molecular weight of 265.36 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-hydrazinyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 107226409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).