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

C12H21N5 — CID 79242779

IUPAC[6-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-pyridinyl]hydrazine
SMILESCN1CCCN(Cc2cccc(NN)n2)CC1
InChIInChI=1S/C12H21N5/c1-16-6-3-7-17(9-8-16)10-11-4-2-5-12(14-11)15-13/h2,4-5H,3,6-10,13H2,1H3,(H,14,15)
InChIKeySWJLCUIZSPSMDF-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.50
Rot. Bonds3

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

[6-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-pyridinyl]hydrazine (PubChem CID 79242779) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is [6-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-pyridinyl]hydrazine
PubChem CID79242779
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name[6-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-pyridinyl]hydrazine
SMILESCN1CCCN(Cc2cccc(NN)n2)CC1
InChIInChI=1S/C12H21N5/c1-16-6-3-7-17(9-8-16)10-11-4-2-5-12(14-11)15-13/h2,4-5H,3,6-10,13H2,1H3,(H,14,15)
InChIKeySWJLCUIZSPSMDF-UHFFFAOYSA-N
XLogP0.50
TPSA57.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.50
H-Bond Donors ≤ 52
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 [6-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [6-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-pyridinyl]hydrazine (CID 79242779) is [6-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [6-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-pyridinyl]hydrazine is CN1CCCN(Cc2cccc(NN)n2)CC1.
What is the InChIKey of [6-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-pyridinyl]hydrazine?
The InChIKey is SWJLCUIZSPSMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-16-6-3-7-17(9-8-16)10-11-4-2-5-12(14-11)15-13/h2,4-5H,3,6-10,13H2,1H3,(H,14,15).
What are the key properties of [6-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-pyridinyl]hydrazine?
[6-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-pyridinyl]hydrazine has a molecular weight of 235.33 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 79242779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).