1-amino-3-(iodoamino)urea

CH5IN4O — CID 151741118

IUPAC1-amino-3-(iodoamino)urea
SMILESNNC(=O)NNI
InChIInChI=1S/CH5IN4O/c2-6-5-1(7)4-3/h6H,3H2,(H2,4,5,7)
InChIKeyRMNZUPPIFLHODU-UHFFFAOYSA-N
MW215.98 g/mol
LogP-0.99
Rot. Bonds1

About 1-amino-3-(iodoamino)urea

1-amino-3-(iodoamino)urea (PubChem CID 151741118) has the molecular formula CH5IN4O and a molecular weight of 215.98 g/mol. Its IUPAC name is 1-amino-3-(iodoamino)urea.

Molecular Properties

Compound Name1-amino-3-(iodoamino)urea
PubChem CID151741118
Molecular FormulaCH5IN4O
Molecular Weight215.98 g/mol
Exact Mass215.95
IUPAC Name1-amino-3-(iodoamino)urea
SMILESNNC(=O)NNI
InChIInChI=1S/CH5IN4O/c2-6-5-1(7)4-3/h6H,3H2,(H2,4,5,7)
InChIKeyRMNZUPPIFLHODU-UHFFFAOYSA-N
XLogP-0.99
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.98
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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copper;bis(1,3-diaminourea)
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magnesium 1,3-diaminourea
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CID 172800195
CID 172800195
1,3-diaminourea;phosphane
CID 159962214
cycloheptane;1,3-diaminourea
CID 18624283
1,3-diaminourea;oxalic acid
CID 174832564
benzene-1,4-diol;1,3-diaminourea
CID 19387491
1-amino-3-(prop-2-enylamino)urea
CID 87611192
1-amino-3-[[(1S,2S)-2-fluorocyclopropyl]amino]urea
CID 139683825
1-amino-3-(thiophene-2-carbonylamino)urea
CID 141065921
1-amino-3-(3-oxoprop-2-enylamino)urea
CID 151719630

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(iodoamino)urea?
The IUPAC name of 1-amino-3-(iodoamino)urea (CID 151741118) is 1-amino-3-(iodoamino)urea.
What is the SMILES notation for 1-amino-3-(iodoamino)urea?
The canonical SMILES for 1-amino-3-(iodoamino)urea is NNC(=O)NNI.
What is the InChIKey of 1-amino-3-(iodoamino)urea?
The InChIKey is RMNZUPPIFLHODU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5IN4O/c2-6-5-1(7)4-3/h6H,3H2,(H2,4,5,7).
What are the key properties of 1-amino-3-(iodoamino)urea?
1-amino-3-(iodoamino)urea has a molecular weight of 215.98 g/mol, XLogP of -0.99, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(iodoamino)urea is sourced from PubChem (CID 151741118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).