[[(2R)-2-amino-1-hydrazinyl-1-oxopropan-2-yl]amino]urea

C4H12N6O2 — CID 88795727

IUPAC[[(2R)-2-amino-1-hydrazinyl-1-oxopropan-2-yl]amino]urea
SMILESC[C@@](N)(NNC(N)=O)C(=O)NN
InChIInChI=1S/C4H12N6O2/c1-4(6,2(11)8-7)10-9-3(5)12/h10H,6-7H2,1H3,(H,8,11)(H3,5,9,12)/t4-/m1/s1
InChIKeyXMCBZYCYVVLBJT-SCSAIBSYSA-N
MW176.18 g/mol
LogP-3.18
Rot. Bonds3

About [[(2R)-2-amino-1-hydrazinyl-1-oxopropan-2-yl]amino]urea

[[(2R)-2-amino-1-hydrazinyl-1-oxopropan-2-yl]amino]urea (PubChem CID 88795727) has the molecular formula C4H12N6O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is [[(2R)-2-amino-1-hydrazinyl-1-oxopropan-2-yl]amino]urea.

Molecular Properties

Compound Name[[(2R)-2-amino-1-hydrazinyl-1-oxopropan-2-yl]amino]urea
PubChem CID88795727
Molecular FormulaC4H12N6O2
Molecular Weight176.18 g/mol
Exact Mass176.10
IUPAC Name[[(2R)-2-amino-1-hydrazinyl-1-oxopropan-2-yl]amino]urea
SMILESC[C@@](N)(NNC(N)=O)C(=O)NN
InChIInChI=1S/C4H12N6O2/c1-4(6,2(11)8-7)10-9-3(5)12/h10H,6-7H2,1H3,(H,8,11)(H3,5,9,12)/t4-/m1/s1
InChIKeyXMCBZYCYVVLBJT-SCSAIBSYSA-N
XLogP-3.18
TPSA148.29 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500176.18
LogP ≤ 5-3.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 [[(2R)-2-amino-1-hydrazinyl-1-oxopropan-2-yl]amino]urea?
The IUPAC name of [[(2R)-2-amino-1-hydrazinyl-1-oxopropan-2-yl]amino]urea (CID 88795727) is [[(2R)-2-amino-1-hydrazinyl-1-oxopropan-2-yl]amino]urea.
What is the SMILES notation for [[(2R)-2-amino-1-hydrazinyl-1-oxopropan-2-yl]amino]urea?
The canonical SMILES for [[(2R)-2-amino-1-hydrazinyl-1-oxopropan-2-yl]amino]urea is C[C@@](N)(NNC(N)=O)C(=O)NN.
What is the InChIKey of [[(2R)-2-amino-1-hydrazinyl-1-oxopropan-2-yl]amino]urea?
The InChIKey is XMCBZYCYVVLBJT-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H12N6O2/c1-4(6,2(11)8-7)10-9-3(5)12/h10H,6-7H2,1H3,(H,8,11)(H3,5,9,12)/t4-/m1/s1.
What are the key properties of [[(2R)-2-amino-1-hydrazinyl-1-oxopropan-2-yl]amino]urea?
[[(2R)-2-amino-1-hydrazinyl-1-oxopropan-2-yl]amino]urea has a molecular weight of 176.18 g/mol, XLogP of -3.18, 3 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R)-2-amino-1-hydrazinyl-1-oxopropan-2-yl]amino]urea is sourced from PubChem (CID 88795727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).