1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(4-amino-1,2,5-oxadiazol-3-yl)carbamoylamino]urea

C6H8N10O4 — CID 3811017

IUPAC1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(4-amino-1,2,5-oxadiazol-3-yl)carbamoylamino]urea
SMILESNc1nonc1NC(=O)NNC(=O)Nc1nonc1N
InChIInChI=1S/C6H8N10O4/c7-1-3(15-19-13-1)9-5(17)11-12-6(18)10-4-2(8)14-20-16-4/h(H2,7,13)(H2,8,14)(H2,9,11,15,17)(H2,10,12,16,18)
InChIKeyGDCBKFUPKBZJKD-UHFFFAOYSA-N
MW284.20 g/mol
LogP-1.52
Rot. Bonds2

About 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(4-amino-1,2,5-oxadiazol-3-yl)carbamoylamino]urea

1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(4-amino-1,2,5-oxadiazol-3-yl)carbamoylamino]urea (PubChem CID 3811017) has the molecular formula C6H8N10O4 and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(4-amino-1,2,5-oxadiazol-3-yl)carbamoylamino]urea.

Molecular Properties

Compound Name1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(4-amino-1,2,5-oxadiazol-3-yl)carbamoylamino]urea
PubChem CID3811017
Molecular FormulaC6H8N10O4
Molecular Weight284.20 g/mol
Exact Mass284.07
IUPAC Name1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(4-amino-1,2,5-oxadiazol-3-yl)carbamoylamino]urea
SMILESNc1nonc1NC(=O)NNC(=O)Nc1nonc1N
InChIInChI=1S/C6H8N10O4/c7-1-3(15-19-13-1)9-5(17)11-12-6(18)10-4-2(8)14-20-16-4/h(H2,7,13)(H2,8,14)(H2,9,11,15,17)(H2,10,12,16,18)
InChIKeyGDCBKFUPKBZJKD-UHFFFAOYSA-N
XLogP-1.52
TPSA212.14 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.20
LogP ≤ 5-1.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(4-amino-1,2,5-oxadiazol-3-yl)carbamoylamino]urea?
The IUPAC name of 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(4-amino-1,2,5-oxadiazol-3-yl)carbamoylamino]urea (CID 3811017) is 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(4-amino-1,2,5-oxadiazol-3-yl)carbamoylamino]urea.
What is the SMILES notation for 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(4-amino-1,2,5-oxadiazol-3-yl)carbamoylamino]urea?
The canonical SMILES for 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(4-amino-1,2,5-oxadiazol-3-yl)carbamoylamino]urea is Nc1nonc1NC(=O)NNC(=O)Nc1nonc1N.
What is the InChIKey of 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(4-amino-1,2,5-oxadiazol-3-yl)carbamoylamino]urea?
The InChIKey is GDCBKFUPKBZJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N10O4/c7-1-3(15-19-13-1)9-5(17)11-12-6(18)10-4-2(8)14-20-16-4/h(H2,7,13)(H2,8,14)(H2,9,11,15,17)(H2,10,12,16,18).
What are the key properties of 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(4-amino-1,2,5-oxadiazol-3-yl)carbamoylamino]urea?
1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(4-amino-1,2,5-oxadiazol-3-yl)carbamoylamino]urea has a molecular weight of 284.20 g/mol, XLogP of -1.52, 2 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(4-amino-1,2,5-oxadiazol-3-yl)carbamoylamino]urea is sourced from PubChem (CID 3811017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).