(2S)-2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;5-methylpyridin-2-amine

C13H24N6O2 — CID 144957795

IUPAC(2S)-2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;5-methylpyridin-2-amine
SMILESCCCC(C/C(=N/N)NN)C(=O)O.Cc1ccc(N)nc1
InChIInChI=1S/C7H16N4O2.C6H8N2/c1-2-3-5(7(12)13)4-6(10-8)11-9;1-5-2-3-6(7)8-4-5/h5H,2-4,8-9H2,1H3,(H,10,11)(H,12,13);2-4H,1H3,(H2,7,8)
InChIKeyMZKGHJNKIBGMPV-UHFFFAOYSA-N
MW296.38 g/mol
LogP0.59
Rot. Bonds5

About (2S)-2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;5-methylpyridin-2-amine

(2S)-2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;5-methylpyridin-2-amine (PubChem CID 144957795) has the molecular formula C13H24N6O2 and a molecular weight of 296.38 g/mol. Its IUPAC name is (2S)-2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;5-methylpyridin-2-amine.

Molecular Properties

Compound Name(2S)-2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;5-methylpyridin-2-amine
PubChem CID144957795
Molecular FormulaC13H24N6O2
Molecular Weight296.38 g/mol
Exact Mass296.20
IUPAC Name(2S)-2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;5-methylpyridin-2-amine
SMILESCCCC(C/C(=N/N)NN)C(=O)O.Cc1ccc(N)nc1
InChIInChI=1S/C7H16N4O2.C6H8N2/c1-2-3-5(7(12)13)4-6(10-8)11-9;1-5-2-3-6(7)8-4-5/h5H,2-4,8-9H2,1H3,(H,10,11)(H,12,13);2-4H,1H3,(H2,7,8)
InChIKeyMZKGHJNKIBGMPV-UHFFFAOYSA-N
XLogP0.59
TPSA152.64 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 50.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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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Related Compounds

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CID 2812079
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CID 18404603
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CID 45272103
CID 45272103
CID 14739552
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CID 90487991
CID 90487991
CID 67130849
CID 67130849
CID 2812084
CID 2812084
CID 45792456
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CID 75485668
CID 75485668
CID 137935349
CID 137935349

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;5-methylpyridin-2-amine?
The IUPAC name of (2S)-2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;5-methylpyridin-2-amine (CID 144957795) is (2S)-2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;5-methylpyridin-2-amine.
What is the SMILES notation for (2S)-2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;5-methylpyridin-2-amine?
The canonical SMILES for (2S)-2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;5-methylpyridin-2-amine is CCCC(C/C(=N/N)NN)C(=O)O.Cc1ccc(N)nc1.
What is the InChIKey of (2S)-2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;5-methylpyridin-2-amine?
The InChIKey is MZKGHJNKIBGMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2.C6H8N2/c1-2-3-5(7(12)13)4-6(10-8)11-9;1-5-2-3-6(7)8-4-5/h5H,2-4,8-9H2,1H3,(H,10,11)(H,12,13);2-4H,1H3,(H2,7,8).
What are the key properties of (2S)-2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;5-methylpyridin-2-amine?
(2S)-2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;5-methylpyridin-2-amine has a molecular weight of 296.38 g/mol, XLogP of 0.59, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;5-methylpyridin-2-amine is sourced from PubChem (CID 144957795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).