2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)-2-nitroinden-1-ylidene]amino]guanidine

C11H13N9O2 — CID 5477411

IUPAC2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)-2-nitroinden-1-ylidene]amino]guanidine
SMILESNC(N)=N/N=C1/c2ccccc2/C(=N/N=C(N)N)C1[N+](=O)[O-]
InChIInChI=1S/C11H13N9O2/c12-10(13)18-16-7-5-3-1-2-4-6(5)8(9(7)20(21)22)17-19-11(14)15/h1-4,9H,(H4,12,13,18)(H4,14,15,19)/b16-7-,17-8-
InChIKeyRCMYKUCEOZKGKL-DNRQYRRUSA-N
MW303.29 g/mol
LogP-1.70
Rot. Bonds3

About 2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)-2-nitroinden-1-ylidene]amino]guanidine

2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)-2-nitroinden-1-ylidene]amino]guanidine (PubChem CID 5477411) has the molecular formula C11H13N9O2 and a molecular weight of 303.29 g/mol. Its IUPAC name is 2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)-2-nitroinden-1-ylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)-2-nitroinden-1-ylidene]amino]guanidine
PubChem CID5477411
Molecular FormulaC11H13N9O2
Molecular Weight303.29 g/mol
Exact Mass303.12
IUPAC Name2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)-2-nitroinden-1-ylidene]amino]guanidine
SMILESNC(N)=N/N=C1/c2ccccc2/C(=N/N=C(N)N)C1[N+](=O)[O-]
InChIInChI=1S/C11H13N9O2/c12-10(13)18-16-7-5-3-1-2-4-6(5)8(9(7)20(21)22)17-19-11(14)15/h1-4,9H,(H4,12,13,18)(H4,14,15,19)/b16-7-,17-8-
InChIKeyRCMYKUCEOZKGKL-DNRQYRRUSA-N
XLogP-1.70
TPSA196.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)-2-nitroinden-1-ylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)-2-nitroinden-1-ylidene]amino]guanidine (CID 5477411) is 2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)-2-nitroinden-1-ylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)-2-nitroinden-1-ylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)-2-nitroinden-1-ylidene]amino]guanidine is NC(N)=N/N=C1/c2ccccc2/C(=N/N=C(N)N)C1[N+](=O)[O-].
What is the InChIKey of 2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)-2-nitroinden-1-ylidene]amino]guanidine?
The InChIKey is RCMYKUCEOZKGKL-DNRQYRRUSA-N. The full InChI is InChI=1S/C11H13N9O2/c12-10(13)18-16-7-5-3-1-2-4-6(5)8(9(7)20(21)22)17-19-11(14)15/h1-4,9H,(H4,12,13,18)(H4,14,15,19)/b16-7-,17-8-.
What are the key properties of 2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)-2-nitroinden-1-ylidene]amino]guanidine?
2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)-2-nitroinden-1-ylidene]amino]guanidine has a molecular weight of 303.29 g/mol, XLogP of -1.70, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(3Z)-3-(diaminomethylidenehydrazinylidene)-2-nitroinden-1-ylidene]amino]guanidine is sourced from PubChem (CID 5477411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).