5H-pyrrolo[2,3-b]pyrazin-2-ylurea

C7H7N5O — CID 67385138

IUPAC5H-pyrrolo[2,3-b]pyrazin-2-ylurea
SMILESNC(=O)Nc1cnc2[nH]ccc2n1
InChIInChI=1S/C7H7N5O/c8-7(13)12-5-3-10-6-4(11-5)1-2-9-6/h1-3H,(H,9,10)(H3,8,11,12,13)
InChIKeyHAOZWDPOGIFHSV-UHFFFAOYSA-N
MW177.17 g/mol
LogP0.45
Rot. Bonds1

About 5H-pyrrolo[2,3-b]pyrazin-2-ylurea

5H-pyrrolo[2,3-b]pyrazin-2-ylurea (PubChem CID 67385138) has the molecular formula C7H7N5O and a molecular weight of 177.17 g/mol. Its IUPAC name is 5H-pyrrolo[2,3-b]pyrazin-2-ylurea.

Molecular Properties

Compound Name5H-pyrrolo[2,3-b]pyrazin-2-ylurea
PubChem CID67385138
Molecular FormulaC7H7N5O
Molecular Weight177.17 g/mol
Exact Mass177.07
IUPAC Name5H-pyrrolo[2,3-b]pyrazin-2-ylurea
SMILESNC(=O)Nc1cnc2[nH]ccc2n1
InChIInChI=1S/C7H7N5O/c8-7(13)12-5-3-10-6-4(11-5)1-2-9-6/h1-3H,(H,9,10)(H3,8,11,12,13)
InChIKeyHAOZWDPOGIFHSV-UHFFFAOYSA-N
XLogP0.45
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5H-pyrrolo[2,3-b]pyrazin-2-ylurea?
The IUPAC name of 5H-pyrrolo[2,3-b]pyrazin-2-ylurea (CID 67385138) is 5H-pyrrolo[2,3-b]pyrazin-2-ylurea.
What is the SMILES notation for 5H-pyrrolo[2,3-b]pyrazin-2-ylurea?
The canonical SMILES for 5H-pyrrolo[2,3-b]pyrazin-2-ylurea is NC(=O)Nc1cnc2[nH]ccc2n1.
What is the InChIKey of 5H-pyrrolo[2,3-b]pyrazin-2-ylurea?
The InChIKey is HAOZWDPOGIFHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O/c8-7(13)12-5-3-10-6-4(11-5)1-2-9-6/h1-3H,(H,9,10)(H3,8,11,12,13).
What are the key properties of 5H-pyrrolo[2,3-b]pyrazin-2-ylurea?
5H-pyrrolo[2,3-b]pyrazin-2-ylurea has a molecular weight of 177.17 g/mol, XLogP of 0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrrolo[2,3-b]pyrazin-2-ylurea is sourced from PubChem (CID 67385138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).