1-amino-3-(1H-imidazol-2-yl)urea

C4H7N5O — CID 154210460

IUPAC1-amino-3-(1H-imidazol-2-yl)urea
SMILESNNC(=O)Nc1ncc[nH]1
InChIInChI=1S/C4H7N5O/c5-9-4(10)8-3-6-1-2-7-3/h1-2H,5H2,(H3,6,7,8,9,10)
InChIKeyQYLVWONCSIIWKB-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.60
Rot. Bonds1

About 1-amino-3-(1H-imidazol-2-yl)urea

1-amino-3-(1H-imidazol-2-yl)urea (PubChem CID 154210460) has the molecular formula C4H7N5O and a molecular weight of 141.13 g/mol. Its IUPAC name is 1-amino-3-(1H-imidazol-2-yl)urea.

Molecular Properties

Compound Name1-amino-3-(1H-imidazol-2-yl)urea
PubChem CID154210460
Molecular FormulaC4H7N5O
Molecular Weight141.13 g/mol
Exact Mass141.07
IUPAC Name1-amino-3-(1H-imidazol-2-yl)urea
SMILESNNC(=O)Nc1ncc[nH]1
InChIInChI=1S/C4H7N5O/c5-9-4(10)8-3-6-1-2-7-3/h1-2H,5H2,(H3,6,7,8,9,10)
InChIKeyQYLVWONCSIIWKB-UHFFFAOYSA-N
XLogP-0.60
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.60
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1H-imidazol-2-yl)-3-propan-2-ylurea
CID 63564076
3-amino-2,2-difluoro-N-(1H-imidazol-2-yl)propanamide
CID 130600861
3,5-dibromo-N-(1H-imidazol-2-yl)benzamide
CID 103910174
3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide
CID 63564488
prop-2-ynyl N-(1H-imidazol-2-yl)carbamate
CID 130693105
3-amino-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide
CID 63564295
3-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide
CID 64525652
N-(1H-imidazol-2-yl)-2,3,4,5,6-pentamethylbenzamide
CID 55212567
2-methylpropyl N-(1H-imidazol-2-yl)carbamate
CID 63565035
(2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide
CID 63562983
2-amino-3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-methylpropanamide
CID 79811342
2-amino-2-cyclobutyl-N-(1H-imidazol-2-yl)acetamide
CID 130806434

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1H-imidazol-2-yl)urea?
The IUPAC name of 1-amino-3-(1H-imidazol-2-yl)urea (CID 154210460) is 1-amino-3-(1H-imidazol-2-yl)urea.
What is the SMILES notation for 1-amino-3-(1H-imidazol-2-yl)urea?
The canonical SMILES for 1-amino-3-(1H-imidazol-2-yl)urea is NNC(=O)Nc1ncc[nH]1.
What is the InChIKey of 1-amino-3-(1H-imidazol-2-yl)urea?
The InChIKey is QYLVWONCSIIWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O/c5-9-4(10)8-3-6-1-2-7-3/h1-2H,5H2,(H3,6,7,8,9,10).
What are the key properties of 1-amino-3-(1H-imidazol-2-yl)urea?
1-amino-3-(1H-imidazol-2-yl)urea has a molecular weight of 141.13 g/mol, XLogP of -0.60, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1H-imidazol-2-yl)urea is sourced from PubChem (CID 154210460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).