2-amino-1-[(E)-[(1E)-1-[[(Z)-C-aminocarbonohydrazonoyl]hydrazinylidene]propan-2-ylidene]amino]guanidine

C5H14N10 — CID 54602858

IUPAC2-amino-1-[(E)-[(1E)-1-[[(Z)-C-aminocarbonohydrazonoyl]hydrazinylidene]propan-2-ylidene]amino]guanidine
SMILESCC(/C=N/N/C(N)=N\N)=N\N/C(N)=N/N
InChIInChI=1S/C5H14N10/c1-3(13-15-5(7)12-9)2-10-14-4(6)11-8/h2H,8-9H2,1H3,(H3,6,11,14)(H3,7,12,15)/b10-2+,13-3+
InChIKeyOJYUJZDMEIWZLQ-GMWIKGNHSA-N
MW214.24 g/mol
LogP-3.10
Rot. Bonds3

About 2-amino-1-[(E)-[(1E)-1-[[(Z)-C-aminocarbonohydrazonoyl]hydrazinylidene]propan-2-ylidene]amino]guanidine

2-amino-1-[(E)-[(1E)-1-[[(Z)-C-aminocarbonohydrazonoyl]hydrazinylidene]propan-2-ylidene]amino]guanidine (PubChem CID 54602858) has the molecular formula C5H14N10 and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-amino-1-[(E)-[(1E)-1-[[(Z)-C-aminocarbonohydrazonoyl]hydrazinylidene]propan-2-ylidene]amino]guanidine.

Molecular Properties

Compound Name2-amino-1-[(E)-[(1E)-1-[[(Z)-C-aminocarbonohydrazonoyl]hydrazinylidene]propan-2-ylidene]amino]guanidine
PubChem CID54602858
Molecular FormulaC5H14N10
Molecular Weight214.24 g/mol
Exact Mass214.14
IUPAC Name2-amino-1-[(E)-[(1E)-1-[[(Z)-C-aminocarbonohydrazonoyl]hydrazinylidene]propan-2-ylidene]amino]guanidine
SMILESCC(/C=N/N/C(N)=N\N)=N\N/C(N)=N/N
InChIInChI=1S/C5H14N10/c1-3(13-15-5(7)12-9)2-10-14-4(6)11-8/h2H,8-9H2,1H3,(H3,6,11,14)(H3,7,12,15)/b10-2+,13-3+
InChIKeyOJYUJZDMEIWZLQ-GMWIKGNHSA-N
XLogP-3.10
TPSA177.58 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.24
LogP ≤ 5-3.10
H-Bond Donors ≤ 56
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(E)-[(1E)-1-[[(Z)-C-aminocarbonohydrazonoyl]hydrazinylidene]propan-2-ylidene]amino]guanidine?
The IUPAC name of 2-amino-1-[(E)-[(1E)-1-[[(Z)-C-aminocarbonohydrazonoyl]hydrazinylidene]propan-2-ylidene]amino]guanidine (CID 54602858) is 2-amino-1-[(E)-[(1E)-1-[[(Z)-C-aminocarbonohydrazonoyl]hydrazinylidene]propan-2-ylidene]amino]guanidine.
What is the SMILES notation for 2-amino-1-[(E)-[(1E)-1-[[(Z)-C-aminocarbonohydrazonoyl]hydrazinylidene]propan-2-ylidene]amino]guanidine?
The canonical SMILES for 2-amino-1-[(E)-[(1E)-1-[[(Z)-C-aminocarbonohydrazonoyl]hydrazinylidene]propan-2-ylidene]amino]guanidine is CC(/C=N/N/C(N)=N\N)=N\N/C(N)=N/N.
What is the InChIKey of 2-amino-1-[(E)-[(1E)-1-[[(Z)-C-aminocarbonohydrazonoyl]hydrazinylidene]propan-2-ylidene]amino]guanidine?
The InChIKey is OJYUJZDMEIWZLQ-GMWIKGNHSA-N. The full InChI is InChI=1S/C5H14N10/c1-3(13-15-5(7)12-9)2-10-14-4(6)11-8/h2H,8-9H2,1H3,(H3,6,11,14)(H3,7,12,15)/b10-2+,13-3+.
What are the key properties of 2-amino-1-[(E)-[(1E)-1-[[(Z)-C-aminocarbonohydrazonoyl]hydrazinylidene]propan-2-ylidene]amino]guanidine?
2-amino-1-[(E)-[(1E)-1-[[(Z)-C-aminocarbonohydrazonoyl]hydrazinylidene]propan-2-ylidene]amino]guanidine has a molecular weight of 214.24 g/mol, XLogP of -3.10, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(E)-[(1E)-1-[[(Z)-C-aminocarbonohydrazonoyl]hydrazinylidene]propan-2-ylidene]amino]guanidine is sourced from PubChem (CID 54602858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).