5H-pyrrolo[2,3-b]pyrazin-2-ylmethylcarbamic acid

C8H8N4O2 — CID 67362267

IUPAC5H-pyrrolo[2,3-b]pyrazin-2-ylmethylcarbamic acid
SMILESO=C(O)NCc1cnc2[nH]ccc2n1
InChIInChI=1S/C8H8N4O2/c13-8(14)11-4-5-3-10-7-6(12-5)1-2-9-7/h1-3,11H,4H2,(H,9,10)(H,13,14)
InChIKeyHQNBKQFGLYINNW-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.73
Rot. Bonds2

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

5H-pyrrolo[2,3-b]pyrazin-2-ylmethylcarbamic acid (PubChem CID 67362267) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 5H-pyrrolo[2,3-b]pyrazin-2-ylmethylcarbamic acid.

Molecular Properties

Compound Name5H-pyrrolo[2,3-b]pyrazin-2-ylmethylcarbamic acid
PubChem CID67362267
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name5H-pyrrolo[2,3-b]pyrazin-2-ylmethylcarbamic acid
SMILESO=C(O)NCc1cnc2[nH]ccc2n1
InChIInChI=1S/C8H8N4O2/c13-8(14)11-4-5-3-10-7-6(12-5)1-2-9-7/h1-3,11H,4H2,(H,9,10)(H,13,14)
InChIKeyHQNBKQFGLYINNW-UHFFFAOYSA-N
XLogP0.73
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.73
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-ylmethylcarbamic acid?
The IUPAC name of 5H-pyrrolo[2,3-b]pyrazin-2-ylmethylcarbamic acid (CID 67362267) is 5H-pyrrolo[2,3-b]pyrazin-2-ylmethylcarbamic acid.
What is the SMILES notation for 5H-pyrrolo[2,3-b]pyrazin-2-ylmethylcarbamic acid?
The canonical SMILES for 5H-pyrrolo[2,3-b]pyrazin-2-ylmethylcarbamic acid is O=C(O)NCc1cnc2[nH]ccc2n1.
What is the InChIKey of 5H-pyrrolo[2,3-b]pyrazin-2-ylmethylcarbamic acid?
The InChIKey is HQNBKQFGLYINNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c13-8(14)11-4-5-3-10-7-6(12-5)1-2-9-7/h1-3,11H,4H2,(H,9,10)(H,13,14).
What are the key properties of 5H-pyrrolo[2,3-b]pyrazin-2-ylmethylcarbamic acid?
5H-pyrrolo[2,3-b]pyrazin-2-ylmethylcarbamic acid has a molecular weight of 192.18 g/mol, XLogP of 0.73, 2 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-ylmethylcarbamic acid is sourced from PubChem (CID 67362267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).