[1-(3-chloro-4-pyridinyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine

C12H20ClN3O — CID 105274087

IUPAC[1-(3-chloro-4-pyridinyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
SMILESCCOC(C)(C)C(Cc1ccncc1Cl)NN
InChIInChI=1S/C12H20ClN3O/c1-4-17-12(2,3)11(16-14)7-9-5-6-15-8-10(9)13/h5-6,8,11,16H,4,7,14H2,1-3H3
InChIKeyKJDQDPAPNMTERQ-UHFFFAOYSA-N
MW257.76 g/mol
LogP1.92
Rot. Bonds6

About [1-(3-chloro-4-pyridinyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine

[1-(3-chloro-4-pyridinyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine (PubChem CID 105274087) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is [1-(3-chloro-4-pyridinyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4-pyridinyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
PubChem CID105274087
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name[1-(3-chloro-4-pyridinyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
SMILESCCOC(C)(C)C(Cc1ccncc1Cl)NN
InChIInChI=1S/C12H20ClN3O/c1-4-17-12(2,3)11(16-14)7-9-5-6-15-8-10(9)13/h5-6,8,11,16H,4,7,14H2,1-3H3
InChIKeyKJDQDPAPNMTERQ-UHFFFAOYSA-N
XLogP1.92
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.92
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)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197915
[1-(2-bromophenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
CID 105274246
[1-(3-chloro-4-pyridinyl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105212419
1-(3-chloro-4-pyridinyl)-4-methoxy-4-methylpentan-2-amine
CID 103027370
1-(3-chloro-4-pyridinyl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724281
3-(2-ethoxy-1-hydrazinyl-2-methylpropyl)pyridin-4-amine
CID 105274050
[2-(3-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethyl]hydrazine
CID 105192720
[1-(3-chloro-4-pyridinyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine
CID 105205447
[1-(3-chloro-4-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105205014
[2-(3-chloro-4-pyridinyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231726
1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol
CID 103449011
3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine
CID 112655896

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-pyridinyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine?
The IUPAC name of [1-(3-chloro-4-pyridinyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine (CID 105274087) is [1-(3-chloro-4-pyridinyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4-pyridinyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chloro-4-pyridinyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine is CCOC(C)(C)C(Cc1ccncc1Cl)NN.
What is the InChIKey of [1-(3-chloro-4-pyridinyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine?
The InChIKey is KJDQDPAPNMTERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-4-17-12(2,3)11(16-14)7-9-5-6-15-8-10(9)13/h5-6,8,11,16H,4,7,14H2,1-3H3.
What are the key properties of [1-(3-chloro-4-pyridinyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine?
[1-(3-chloro-4-pyridinyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine has a molecular weight of 257.76 g/mol, XLogP of 1.92, 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)-3-ethoxy-3-methylbutan-2-yl]hydrazine is sourced from PubChem (CID 105274087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).