8H-cyclohepta[b]pyrazin-9-ylcarbamic acid

C10H9N3O2 — CID 123653426

IUPAC8H-cyclohepta[b]pyrazin-9-ylcarbamic acid
SMILESO=C(O)NC1=c2nccnc2=CC=CC1
InChIInChI=1S/C10H9N3O2/c14-10(15)13-8-4-2-1-3-7-9(8)12-6-5-11-7/h1-3,5-6,13H,4H2,(H,14,15)
InChIKeyOCZZZMNYJOEAFC-UHFFFAOYSA-N
MW203.20 g/mol
LogP-0.41
Rot. Bonds1

About 8H-cyclohepta[b]pyrazin-9-ylcarbamic acid

8H-cyclohepta[b]pyrazin-9-ylcarbamic acid (PubChem CID 123653426) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 8H-cyclohepta[b]pyrazin-9-ylcarbamic acid.

Molecular Properties

Compound Name8H-cyclohepta[b]pyrazin-9-ylcarbamic acid
PubChem CID123653426
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name8H-cyclohepta[b]pyrazin-9-ylcarbamic acid
SMILESO=C(O)NC1=c2nccnc2=CC=CC1
InChIInChI=1S/C10H9N3O2/c14-10(15)13-8-4-2-1-3-7-9(8)12-6-5-11-7/h1-3,5-6,13H,4H2,(H,14,15)
InChIKeyOCZZZMNYJOEAFC-UHFFFAOYSA-N
XLogP-0.41
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8H-cyclohepta[b]pyrazin-9-ylcarbamic acid?
The IUPAC name of 8H-cyclohepta[b]pyrazin-9-ylcarbamic acid (CID 123653426) is 8H-cyclohepta[b]pyrazin-9-ylcarbamic acid.
What is the SMILES notation for 8H-cyclohepta[b]pyrazin-9-ylcarbamic acid?
The canonical SMILES for 8H-cyclohepta[b]pyrazin-9-ylcarbamic acid is O=C(O)NC1=c2nccnc2=CC=CC1.
What is the InChIKey of 8H-cyclohepta[b]pyrazin-9-ylcarbamic acid?
The InChIKey is OCZZZMNYJOEAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c14-10(15)13-8-4-2-1-3-7-9(8)12-6-5-11-7/h1-3,5-6,13H,4H2,(H,14,15).
What are the key properties of 8H-cyclohepta[b]pyrazin-9-ylcarbamic acid?
8H-cyclohepta[b]pyrazin-9-ylcarbamic acid has a molecular weight of 203.20 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-cyclohepta[b]pyrazin-9-ylcarbamic acid is sourced from PubChem (CID 123653426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).