(2Z)-N-(2-amino-2-oxoethyl)-2-(diaminomethylidenehydrazinylidene)propanamide

C6H12N6O2 — CID 123527962

IUPAC(2Z)-N-(2-amino-2-oxoethyl)-2-(diaminomethylidenehydrazinylidene)propanamide
SMILESC/C(=N/N=C(N)N)C(=O)NCC(N)=O
InChIInChI=1S/C6H12N6O2/c1-3(11-12-6(8)9)5(14)10-2-4(7)13/h2H2,1H3,(H2,7,13)(H,10,14)(H4,8,9,12)/b11-3-
InChIKeyBZZSAZZXBKETSY-JYOAFUTRSA-N
MW200.20 g/mol
LogP-2.76
Rot. Bonds4

About (2Z)-N-(2-amino-2-oxoethyl)-2-(diaminomethylidenehydrazinylidene)propanamide

(2Z)-N-(2-amino-2-oxoethyl)-2-(diaminomethylidenehydrazinylidene)propanamide (PubChem CID 123527962) has the molecular formula C6H12N6O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is (2Z)-N-(2-amino-2-oxoethyl)-2-(diaminomethylidenehydrazinylidene)propanamide.

Molecular Properties

Compound Name(2Z)-N-(2-amino-2-oxoethyl)-2-(diaminomethylidenehydrazinylidene)propanamide
PubChem CID123527962
Molecular FormulaC6H12N6O2
Molecular Weight200.20 g/mol
Exact Mass200.10
IUPAC Name(2Z)-N-(2-amino-2-oxoethyl)-2-(diaminomethylidenehydrazinylidene)propanamide
SMILESC/C(=N/N=C(N)N)C(=O)NCC(N)=O
InChIInChI=1S/C6H12N6O2/c1-3(11-12-6(8)9)5(14)10-2-4(7)13/h2H2,1H3,(H2,7,13)(H,10,14)(H4,8,9,12)/b11-3-
InChIKeyBZZSAZZXBKETSY-JYOAFUTRSA-N
XLogP-2.76
TPSA148.95 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-2.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (2Z)-N-(2-amino-2-oxoethyl)-2-(diaminomethylidenehydrazinylidene)propanamide?
The IUPAC name of (2Z)-N-(2-amino-2-oxoethyl)-2-(diaminomethylidenehydrazinylidene)propanamide (CID 123527962) is (2Z)-N-(2-amino-2-oxoethyl)-2-(diaminomethylidenehydrazinylidene)propanamide.
What is the SMILES notation for (2Z)-N-(2-amino-2-oxoethyl)-2-(diaminomethylidenehydrazinylidene)propanamide?
The canonical SMILES for (2Z)-N-(2-amino-2-oxoethyl)-2-(diaminomethylidenehydrazinylidene)propanamide is C/C(=N/N=C(N)N)C(=O)NCC(N)=O.
What is the InChIKey of (2Z)-N-(2-amino-2-oxoethyl)-2-(diaminomethylidenehydrazinylidene)propanamide?
The InChIKey is BZZSAZZXBKETSY-JYOAFUTRSA-N. The full InChI is InChI=1S/C6H12N6O2/c1-3(11-12-6(8)9)5(14)10-2-4(7)13/h2H2,1H3,(H2,7,13)(H,10,14)(H4,8,9,12)/b11-3-.
What are the key properties of (2Z)-N-(2-amino-2-oxoethyl)-2-(diaminomethylidenehydrazinylidene)propanamide?
(2Z)-N-(2-amino-2-oxoethyl)-2-(diaminomethylidenehydrazinylidene)propanamide has a molecular weight of 200.20 g/mol, XLogP of -2.76, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(2-amino-2-oxoethyl)-2-(diaminomethylidenehydrazinylidene)propanamide is sourced from PubChem (CID 123527962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).