1-amino-3-pyridin-4-ylurea

C6H8N4O — CID 15289585

IUPAC1-amino-3-pyridin-4-ylurea
SMILESNNC(=O)Nc1ccncc1
InChIInChI=1S/C6H8N4O/c7-10-6(11)9-5-1-3-8-4-2-5/h1-4H,7H2,(H2,8,9,10,11)
InChIKeyMJTBMALRTPNOQB-UHFFFAOYSA-N
MW152.16 g/mol
LogP0.08
Rot. Bonds1

About 1-amino-3-pyridin-4-ylurea

1-amino-3-pyridin-4-ylurea (PubChem CID 15289585) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 1-amino-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-amino-3-pyridin-4-ylurea
PubChem CID15289585
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name1-amino-3-pyridin-4-ylurea
SMILESNNC(=O)Nc1ccncc1
InChIInChI=1S/C6H8N4O/c7-10-6(11)9-5-1-3-8-4-2-5/h1-4H,7H2,(H2,8,9,10,11)
InChIKeyMJTBMALRTPNOQB-UHFFFAOYSA-N
XLogP0.08
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 50.08
H-Bond Donors ≤ 53
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-(4-bromophenyl)-3-pyridin-4-ylurea
CID 677050
1-(2-aminoethyl)-3-pyridin-4-ylurea
CID 82503728
1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea
CID 108892683
1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea
CID 47385463
1-(N'-tert-butylcarbamimidoyl)-3-pyridin-4-ylurea
CID 70456473
2,2,2-tribromo-N-pyridin-4-ylacetamide
CID 23576873
(2R)-2-amino-N-pyridin-4-ylpropanamide
CID 78972247
N-[3-(hydrazinecarbonylamino)phenyl]acetamide
CID 82283644
1-amino-3-(3-hydroxyphenyl)urea
CID 23273555
1-amino-3-(3-pyrimidin-5-ylphenyl)urea
CID 142783216
1-(2-iodophenyl)-3-pyridin-4-ylurea
CID 3370542
2,2,2-trifluoro-N-pyridin-4-ylacetamide
CID 4095205

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-pyridin-4-ylurea?
The IUPAC name of 1-amino-3-pyridin-4-ylurea (CID 15289585) is 1-amino-3-pyridin-4-ylurea.
What is the SMILES notation for 1-amino-3-pyridin-4-ylurea?
The canonical SMILES for 1-amino-3-pyridin-4-ylurea is NNC(=O)Nc1ccncc1.
What is the InChIKey of 1-amino-3-pyridin-4-ylurea?
The InChIKey is MJTBMALRTPNOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c7-10-6(11)9-5-1-3-8-4-2-5/h1-4H,7H2,(H2,8,9,10,11).
What are the key properties of 1-amino-3-pyridin-4-ylurea?
1-amino-3-pyridin-4-ylurea has a molecular weight of 152.16 g/mol, XLogP of 0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-pyridin-4-ylurea is sourced from PubChem (CID 15289585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).