1,1,3-tri(pyrrol-1-yl)urea

C13H13N5O — CID 143585169

IUPAC1,1,3-tri(pyrrol-1-yl)urea
SMILESO=C(Nn1cccc1)N(n1cccc1)n1cccc1
InChIInChI=1S/C13H13N5O/c19-13(14-15-7-1-2-8-15)18(16-9-3-4-10-16)17-11-5-6-12-17/h1-12H,(H,14,19)
InChIKeyAPFMEFLNBMYMSM-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.86
Rot. Bonds3

About 1,1,3-tri(pyrrol-1-yl)urea

1,1,3-tri(pyrrol-1-yl)urea (PubChem CID 143585169) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 1,1,3-tri(pyrrol-1-yl)urea.

Molecular Properties

Compound Name1,1,3-tri(pyrrol-1-yl)urea
PubChem CID143585169
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name1,1,3-tri(pyrrol-1-yl)urea
SMILESO=C(Nn1cccc1)N(n1cccc1)n1cccc1
InChIInChI=1S/C13H13N5O/c19-13(14-15-7-1-2-8-15)18(16-9-3-4-10-16)17-11-5-6-12-17/h1-12H,(H,14,19)
InChIKeyAPFMEFLNBMYMSM-UHFFFAOYSA-N
XLogP1.86
TPSA47.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-1-methyl-3-pyrrol-1-ylurea
CID 130725660
N-pyrrol-1-ylcarbamoyl chloride
CID 154374580
3-oxo-N-pyrrol-1-ylpropanamide
CID 175709956
N-pyrrol-1-ylprop-2-enamide
CID 5152855
2-bromo-2-methyl-N-pyrrol-1-ylpropanamide
CID 114328870
2-bromo-N-pyrrol-1-ylpropanamide
CID 107905429
3-bromo-N-pyrrol-1-ylprop-2-ynamide
CID 130775661
2-amino-N-pyrrol-1-ylpropanamide
CID 19973193
3-(ethylamino)-N-pyrrol-1-ylpropanamide
CID 79100027
6-(pyrrol-1-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 79090272
2,2-dichloro-N-pyrrol-1-ylcyclopropane-1-carboxamide
CID 130905184
4-iodo-N-pyrrol-1-ylbenzamide
CID 79107507

Frequently Asked Questions

What is the IUPAC name of 1,1,3-tri(pyrrol-1-yl)urea?
The IUPAC name of 1,1,3-tri(pyrrol-1-yl)urea (CID 143585169) is 1,1,3-tri(pyrrol-1-yl)urea.
What is the SMILES notation for 1,1,3-tri(pyrrol-1-yl)urea?
The canonical SMILES for 1,1,3-tri(pyrrol-1-yl)urea is O=C(Nn1cccc1)N(n1cccc1)n1cccc1.
What is the InChIKey of 1,1,3-tri(pyrrol-1-yl)urea?
The InChIKey is APFMEFLNBMYMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c19-13(14-15-7-1-2-8-15)18(16-9-3-4-10-16)17-11-5-6-12-17/h1-12H,(H,14,19).
What are the key properties of 1,1,3-tri(pyrrol-1-yl)urea?
1,1,3-tri(pyrrol-1-yl)urea has a molecular weight of 255.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-tri(pyrrol-1-yl)urea is sourced from PubChem (CID 143585169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).