2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;3-methylpyridine

C13H23N5O2 — CID 144957469

IUPAC2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;3-methylpyridine
SMILESCCCC(C/C(=N/N)NN)C(=O)O.Cc1cccnc1
InChIInChI=1S/C7H16N4O2.C6H7N/c1-2-3-5(7(12)13)4-6(10-8)11-9;1-6-3-2-4-7-5-6/h5H,2-4,8-9H2,1H3,(H,10,11)(H,12,13);2-5H,1H3
InChIKeyHNBSZAJBCBMLMX-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.00
Rot. Bonds5

About 2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;3-methylpyridine

2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;3-methylpyridine (PubChem CID 144957469) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;3-methylpyridine.

Molecular Properties

Compound Name2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;3-methylpyridine
PubChem CID144957469
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;3-methylpyridine
SMILESCCCC(C/C(=N/N)NN)C(=O)O.Cc1cccnc1
InChIInChI=1S/C7H16N4O2.C6H7N/c1-2-3-5(7(12)13)4-6(10-8)11-9;1-6-3-2-4-7-5-6/h5H,2-4,8-9H2,1H3,(H,10,11)(H,12,13);2-5H,1H3
InChIKeyHNBSZAJBCBMLMX-UHFFFAOYSA-N
XLogP1.00
TPSA126.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;3-methylpyridine?
The IUPAC name of 2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;3-methylpyridine (CID 144957469) is 2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;3-methylpyridine.
What is the SMILES notation for 2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;3-methylpyridine?
The canonical SMILES for 2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;3-methylpyridine is CCCC(C/C(=N/N)NN)C(=O)O.Cc1cccnc1.
What is the InChIKey of 2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;3-methylpyridine?
The InChIKey is HNBSZAJBCBMLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2.C6H7N/c1-2-3-5(7(12)13)4-6(10-8)11-9;1-6-3-2-4-7-5-6/h5H,2-4,8-9H2,1H3,(H,10,11)(H,12,13);2-5H,1H3.
What are the key properties of 2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;3-methylpyridine?
2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;3-methylpyridine has a molecular weight of 281.36 g/mol, XLogP of 1.00, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;3-methylpyridine is sourced from PubChem (CID 144957469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).