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

C13H23N5O — CID 107226403

IUPAC2-[4-[(2-hydrazinyl-4-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol
SMILESNNc1cc(CN2CCCN(CCO)CC2)ccn1
InChIInChI=1S/C13H23N5O/c14-16-13-10-12(2-3-15-13)11-18-5-1-4-17(6-7-18)8-9-19/h2-3,10,19H,1,4-9,11,14H2,(H,15,16)
InChIKeyXHFJEPIQPBKXHC-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.13
Rot. Bonds5

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

2-[4-[(2-hydrazinyl-4-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol (PubChem CID 107226403) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[4-[(2-hydrazinyl-4-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-hydrazinyl-4-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol
PubChem CID107226403
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[4-[(2-hydrazinyl-4-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol
SMILESNNc1cc(CN2CCCN(CCO)CC2)ccn1
InChIInChI=1S/C13H23N5O/c14-16-13-10-12(2-3-15-13)11-18-5-1-4-17(6-7-18)8-9-19/h2-3,10,19H,1,4-9,11,14H2,(H,15,16)
InChIKeyXHFJEPIQPBKXHC-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-[(2-hydrazinyl-4-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol with MolForge

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Related Compounds

2-Hydrazinyl-4-methylpyridine
CID 12266739
4-(((2-Methoxyethyl)(methyl)amino)methyl)pyridin-2-amine
CID 62465926
2-{4-[(6-Aminopyridin-3-yl)methyl]piperazin-1-yl}ethan-1-ol
CID 55046739
(R)-1-((S)-2,2,2-trifluoro-1-(6-hydrazinylpyridin-3-yl)ethyl)pyrrolidin-3-ol
CID 70983872
1-[2,2,2-Trifluoro-1-(6-hydrazinyl-3-pyridinyl)ethyl]pyrrolidin-3-ol
CID 77962535
1-[(1S)-2,2,2-trifluoro-1-(6-hydrazinyl-3-pyridinyl)ethyl]pyrrolidin-3-ol
CID 89913308
2-(2-Amino-5-methylpyridin-1-ium-1-yl)ethanol
CID 4173315
2-[4-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanol
CID 2779434
N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62470430
[4-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine
CID 62968119
2-[4-[3-(Trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanol
CID 63309770
2-[4-[4-(Trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanol
CID 66330867

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-hydrazinyl-4-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-[(2-hydrazinyl-4-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol (CID 107226403) is 2-[4-[(2-hydrazinyl-4-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-hydrazinyl-4-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2-hydrazinyl-4-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol is NNc1cc(CN2CCCN(CCO)CC2)ccn1.
What is the InChIKey of 2-[4-[(2-hydrazinyl-4-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol?
The InChIKey is XHFJEPIQPBKXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c14-16-13-10-12(2-3-15-13)11-18-5-1-4-17(6-7-18)8-9-19/h2-3,10,19H,1,4-9,11,14H2,(H,15,16).
What are the key properties of 2-[4-[(2-hydrazinyl-4-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol?
2-[4-[(2-hydrazinyl-4-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-[(2-hydrazinyl-4-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 107226403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).