1-amino-3-(pyridine-2-carbonylamino)urea

C7H9N5O2 — CID 175507593

IUPAC1-amino-3-(pyridine-2-carbonylamino)urea
SMILESNNC(=O)NNC(=O)c1ccccn1
InChIInChI=1S/C7H9N5O2/c8-10-7(14)12-11-6(13)5-3-1-2-4-9-5/h1-4H,8H2,(H,11,13)(H2,10,12,14)
InChIKeyVRBTWIQNXMBYFD-UHFFFAOYSA-N
MW195.18 g/mol
LogP-1.10
Rot. Bonds1

About 1-amino-3-(pyridine-2-carbonylamino)urea

1-amino-3-(pyridine-2-carbonylamino)urea (PubChem CID 175507593) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-amino-3-(pyridine-2-carbonylamino)urea.

Molecular Properties

Compound Name1-amino-3-(pyridine-2-carbonylamino)urea
PubChem CID175507593
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name1-amino-3-(pyridine-2-carbonylamino)urea
SMILESNNC(=O)NNC(=O)c1ccccn1
InChIInChI=1S/C7H9N5O2/c8-10-7(14)12-11-6(13)5-3-1-2-4-9-5/h1-4H,8H2,(H,11,13)(H2,10,12,14)
InChIKeyVRBTWIQNXMBYFD-UHFFFAOYSA-N
XLogP-1.10
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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 1-amino-3-(pyridine-2-carbonylamino)urea?
The IUPAC name of 1-amino-3-(pyridine-2-carbonylamino)urea (CID 175507593) is 1-amino-3-(pyridine-2-carbonylamino)urea.
What is the SMILES notation for 1-amino-3-(pyridine-2-carbonylamino)urea?
The canonical SMILES for 1-amino-3-(pyridine-2-carbonylamino)urea is NNC(=O)NNC(=O)c1ccccn1.
What is the InChIKey of 1-amino-3-(pyridine-2-carbonylamino)urea?
The InChIKey is VRBTWIQNXMBYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c8-10-7(14)12-11-6(13)5-3-1-2-4-9-5/h1-4H,8H2,(H,11,13)(H2,10,12,14).
What are the key properties of 1-amino-3-(pyridine-2-carbonylamino)urea?
1-amino-3-(pyridine-2-carbonylamino)urea has a molecular weight of 195.18 g/mol, XLogP of -1.10, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(pyridine-2-carbonylamino)urea is sourced from PubChem (CID 175507593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).