(E)-[amino-(diaminomethylideneamino)methylidene]urea

C3H8N6O — CID 55289694

IUPAC(E)-[amino-(diaminomethylideneamino)methylidene]urea
SMILESNC(=O)/N=C(\N)N=C(N)N
InChIInChI=1S/C3H8N6O/c4-1(5)8-2(6)9-3(7)10/h(H8,4,5,6,7,8,9,10)
InChIKeyBRNBNKRENZZHRZ-UHFFFAOYSA-N
MW144.14 g/mol
LogP-2.35
Rot. Bonds

About (E)-[amino-(diaminomethylideneamino)methylidene]urea

(E)-[amino-(diaminomethylideneamino)methylidene]urea (PubChem CID 55289694) has the molecular formula C3H8N6O and a molecular weight of 144.14 g/mol. Its IUPAC name is (E)-[amino-(diaminomethylideneamino)methylidene]urea.

Molecular Properties

Compound Name(E)-[amino-(diaminomethylideneamino)methylidene]urea
PubChem CID55289694
Molecular FormulaC3H8N6O
Molecular Weight144.14 g/mol
Exact Mass144.08
IUPAC Name(E)-[amino-(diaminomethylideneamino)methylidene]urea
SMILESNC(=O)/N=C(\N)N=C(N)N
InChIInChI=1S/C3H8N6O/c4-1(5)8-2(6)9-3(7)10/h(H8,4,5,6,7,8,9,10)
InChIKeyBRNBNKRENZZHRZ-UHFFFAOYSA-N
XLogP-2.35
TPSA145.87 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.14
LogP ≤ 5-2.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-[amino-(diaminomethylideneamino)methylidene]urea?
The IUPAC name of (E)-[amino-(diaminomethylideneamino)methylidene]urea (CID 55289694) is (E)-[amino-(diaminomethylideneamino)methylidene]urea.
What is the SMILES notation for (E)-[amino-(diaminomethylideneamino)methylidene]urea?
The canonical SMILES for (E)-[amino-(diaminomethylideneamino)methylidene]urea is NC(=O)/N=C(\N)N=C(N)N.
What is the InChIKey of (E)-[amino-(diaminomethylideneamino)methylidene]urea?
The InChIKey is BRNBNKRENZZHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N6O/c4-1(5)8-2(6)9-3(7)10/h(H8,4,5,6,7,8,9,10).
What are the key properties of (E)-[amino-(diaminomethylideneamino)methylidene]urea?
(E)-[amino-(diaminomethylideneamino)methylidene]urea has a molecular weight of 144.14 g/mol, XLogP of -2.35, 0 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[amino-(diaminomethylideneamino)methylidene]urea is sourced from PubChem (CID 55289694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).