1-(1,1-diaminoethyl)-5-hydrazinylideneimidazolidin-2-one

C5H12N6O — CID 69115496

IUPAC1-(1,1-diaminoethyl)-5-hydrazinylideneimidazolidin-2-one
SMILESCC(N)(N)N1C(=O)NCC1=NN
InChIInChI=1S/C5H12N6O/c1-5(6,7)11-3(10-8)2-9-4(11)12/h2,6-8H2,1H3,(H,9,12)
InChIKeyGBTQDPUVLIYSLP-UHFFFAOYSA-N
MW172.19 g/mol
LogP-2.13
Rot. Bonds1

About 1-(1,1-diaminoethyl)-5-hydrazinylideneimidazolidin-2-one

1-(1,1-diaminoethyl)-5-hydrazinylideneimidazolidin-2-one (PubChem CID 69115496) has the molecular formula C5H12N6O and a molecular weight of 172.19 g/mol. Its IUPAC name is 1-(1,1-diaminoethyl)-5-hydrazinylideneimidazolidin-2-one.

Molecular Properties

Compound Name1-(1,1-diaminoethyl)-5-hydrazinylideneimidazolidin-2-one
PubChem CID69115496
Molecular FormulaC5H12N6O
Molecular Weight172.19 g/mol
Exact Mass172.11
IUPAC Name1-(1,1-diaminoethyl)-5-hydrazinylideneimidazolidin-2-one
SMILESCC(N)(N)N1C(=O)NCC1=NN
InChIInChI=1S/C5H12N6O/c1-5(6,7)11-3(10-8)2-9-4(11)12/h2,6-8H2,1H3,(H,9,12)
InChIKeyGBTQDPUVLIYSLP-UHFFFAOYSA-N
XLogP-2.13
TPSA122.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-2.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 1-(1,1-diaminoethyl)-5-hydrazinylideneimidazolidin-2-one?
The IUPAC name of 1-(1,1-diaminoethyl)-5-hydrazinylideneimidazolidin-2-one (CID 69115496) is 1-(1,1-diaminoethyl)-5-hydrazinylideneimidazolidin-2-one.
What is the SMILES notation for 1-(1,1-diaminoethyl)-5-hydrazinylideneimidazolidin-2-one?
The canonical SMILES for 1-(1,1-diaminoethyl)-5-hydrazinylideneimidazolidin-2-one is CC(N)(N)N1C(=O)NCC1=NN.
What is the InChIKey of 1-(1,1-diaminoethyl)-5-hydrazinylideneimidazolidin-2-one?
The InChIKey is GBTQDPUVLIYSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N6O/c1-5(6,7)11-3(10-8)2-9-4(11)12/h2,6-8H2,1H3,(H,9,12).
What are the key properties of 1-(1,1-diaminoethyl)-5-hydrazinylideneimidazolidin-2-one?
1-(1,1-diaminoethyl)-5-hydrazinylideneimidazolidin-2-one has a molecular weight of 172.19 g/mol, XLogP of -2.13, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-diaminoethyl)-5-hydrazinylideneimidazolidin-2-one is sourced from PubChem (CID 69115496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).