[1-(3-chloro-4-pyridinyl)-4-(oxolan-2-yl)butyl]hydrazine

C13H20ClN3O — CID 105314132

IUPAC[1-(3-chloro-4-pyridinyl)-4-(oxolan-2-yl)butyl]hydrazine
SMILESNNC(CCCC1CCCO1)c1ccncc1Cl
InChIInChI=1S/C13H20ClN3O/c14-12-9-16-7-6-11(12)13(17-15)5-1-3-10-4-2-8-18-10/h6-7,9-10,13,17H,1-5,8,15H2
InChIKeyKPNHEJDQGCLZCE-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.59
Rot. Bonds6

About [1-(3-chloro-4-pyridinyl)-4-(oxolan-2-yl)butyl]hydrazine

[1-(3-chloro-4-pyridinyl)-4-(oxolan-2-yl)butyl]hydrazine (PubChem CID 105314132) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is [1-(3-chloro-4-pyridinyl)-4-(oxolan-2-yl)butyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4-pyridinyl)-4-(oxolan-2-yl)butyl]hydrazine
PubChem CID105314132
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name[1-(3-chloro-4-pyridinyl)-4-(oxolan-2-yl)butyl]hydrazine
SMILESNNC(CCCC1CCCO1)c1ccncc1Cl
InChIInChI=1S/C13H20ClN3O/c14-12-9-16-7-6-11(12)13(17-15)5-1-3-10-4-2-8-18-10/h6-7,9-10,13,17H,1-5,8,15H2
InChIKeyKPNHEJDQGCLZCE-UHFFFAOYSA-N
XLogP2.59
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-chloro-4-pyridinyl)-3-cyclopropylpropyl]hydrazine
CID 105315159
[1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314231
[4-(oxolan-2-yl)-1-quinoxalin-6-ylbutyl]hydrazine
CID 105221924
[4-(oxolan-2-yl)-1-pyrimidin-2-ylbutyl]hydrazine
CID 105203720
[4-(oxolan-2-yl)-1-quinoxalin-5-ylbutyl]hydrazine
CID 105314120
[1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314004
[1-(6-chloro-3-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105253010
[1-(2,5-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105302010
[3-(oxolan-2-yl)-1-pyrimidin-5-ylpropyl]hydrazine
CID 105292141
[1-(3-bromo-4-methylphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314055
[1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105210871
[4-(oxolan-2-yl)-1-quinoxalin-2-ylbutyl]hydrazine
CID 107357897

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-pyridinyl)-4-(oxolan-2-yl)butyl]hydrazine?
The IUPAC name of [1-(3-chloro-4-pyridinyl)-4-(oxolan-2-yl)butyl]hydrazine (CID 105314132) is [1-(3-chloro-4-pyridinyl)-4-(oxolan-2-yl)butyl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4-pyridinyl)-4-(oxolan-2-yl)butyl]hydrazine?
The canonical SMILES for [1-(3-chloro-4-pyridinyl)-4-(oxolan-2-yl)butyl]hydrazine is NNC(CCCC1CCCO1)c1ccncc1Cl.
What is the InChIKey of [1-(3-chloro-4-pyridinyl)-4-(oxolan-2-yl)butyl]hydrazine?
The InChIKey is KPNHEJDQGCLZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c14-12-9-16-7-6-11(12)13(17-15)5-1-3-10-4-2-8-18-10/h6-7,9-10,13,17H,1-5,8,15H2.
What are the key properties of [1-(3-chloro-4-pyridinyl)-4-(oxolan-2-yl)butyl]hydrazine?
[1-(3-chloro-4-pyridinyl)-4-(oxolan-2-yl)butyl]hydrazine has a molecular weight of 269.78 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-pyridinyl)-4-(oxolan-2-yl)butyl]hydrazine is sourced from PubChem (CID 105314132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).