1-amino-3-(1H-pyrrol-2-ylamino)urea

C5H9N5O — CID 162640047

IUPAC1-amino-3-(1H-pyrrol-2-ylamino)urea
SMILESNNC(=O)NNc1ccc[nH]1
InChIInChI=1S/C5H9N5O/c6-8-5(11)10-9-4-2-1-3-7-4/h1-3,7,9H,6H2,(H2,8,10,11)
InChIKeyUFNWGJNEXZJQLU-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.49
Rot. Bonds2

About 1-amino-3-(1H-pyrrol-2-ylamino)urea

1-amino-3-(1H-pyrrol-2-ylamino)urea (PubChem CID 162640047) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is 1-amino-3-(1H-pyrrol-2-ylamino)urea.

Molecular Properties

Compound Name1-amino-3-(1H-pyrrol-2-ylamino)urea
PubChem CID162640047
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name1-amino-3-(1H-pyrrol-2-ylamino)urea
SMILESNNC(=O)NNc1ccc[nH]1
InChIInChI=1S/C5H9N5O/c6-8-5(11)10-9-4-2-1-3-7-4/h1-3,7,9H,6H2,(H2,8,10,11)
InChIKeyUFNWGJNEXZJQLU-UHFFFAOYSA-N
XLogP-0.49
TPSA94.97 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.49
H-Bond Donors ≤ 55
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

2-Aminopyrrole
CID 5324781
1,2-Diaminoazole
CID 21989062
Azolyl isocyanate
CID 23062270
N-(1H-pyrrol-2-yl)formamide
CID 54492709
Guanidinopyrrole
CID 57188296
Azolylhydrazine
CID 67965327
Ureidopyrrole
CID 68657670
1H-Pyrrol-2-amine hydrochloride
CID 69520528
Azolyl azide
CID 85973194
Pyrrolyl pyrazoline
CID 154487442
3-fluoro-2-isocyanato-1H-pyrrole
CID 141259318
1,2,3,8-Tetrahydropyrrolo[2,3-c]diazepine
CID 86022287

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1H-pyrrol-2-ylamino)urea?
The IUPAC name of 1-amino-3-(1H-pyrrol-2-ylamino)urea (CID 162640047) is 1-amino-3-(1H-pyrrol-2-ylamino)urea.
What is the SMILES notation for 1-amino-3-(1H-pyrrol-2-ylamino)urea?
The canonical SMILES for 1-amino-3-(1H-pyrrol-2-ylamino)urea is NNC(=O)NNc1ccc[nH]1.
What is the InChIKey of 1-amino-3-(1H-pyrrol-2-ylamino)urea?
The InChIKey is UFNWGJNEXZJQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c6-8-5(11)10-9-4-2-1-3-7-4/h1-3,7,9H,6H2,(H2,8,10,11).
What are the key properties of 1-amino-3-(1H-pyrrol-2-ylamino)urea?
1-amino-3-(1H-pyrrol-2-ylamino)urea has a molecular weight of 155.16 g/mol, XLogP of -0.49, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1H-pyrrol-2-ylamino)urea is sourced from PubChem (CID 162640047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).