pyrazin-2-ylmethylcarbamic acid

C6H7N3O2 — CID 67216750

IUPACpyrazin-2-ylmethylcarbamic acid
SMILESO=C(O)NCc1cnccn1
InChIInChI=1S/C6H7N3O2/c10-6(11)9-4-5-3-7-1-2-8-5/h1-3,9H,4H2,(H,10,11)
InChIKeyDSMQIDDPPMBEHQ-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.24
Rot. Bonds2

About pyrazin-2-ylmethylcarbamic acid

pyrazin-2-ylmethylcarbamic acid (PubChem CID 67216750) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is pyrazin-2-ylmethylcarbamic acid.

Molecular Properties

Compound Namepyrazin-2-ylmethylcarbamic acid
PubChem CID67216750
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Namepyrazin-2-ylmethylcarbamic acid
SMILESO=C(O)NCc1cnccn1
InChIInChI=1S/C6H7N3O2/c10-6(11)9-4-5-3-7-1-2-8-5/h1-3,9H,4H2,(H,10,11)
InChIKeyDSMQIDDPPMBEHQ-UHFFFAOYSA-N
XLogP0.24
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-ylmethylcarbamic acid?
The IUPAC name of pyrazin-2-ylmethylcarbamic acid (CID 67216750) is pyrazin-2-ylmethylcarbamic acid.
What is the SMILES notation for pyrazin-2-ylmethylcarbamic acid?
The canonical SMILES for pyrazin-2-ylmethylcarbamic acid is O=C(O)NCc1cnccn1.
What is the InChIKey of pyrazin-2-ylmethylcarbamic acid?
The InChIKey is DSMQIDDPPMBEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c10-6(11)9-4-5-3-7-1-2-8-5/h1-3,9H,4H2,(H,10,11).
What are the key properties of pyrazin-2-ylmethylcarbamic acid?
pyrazin-2-ylmethylcarbamic acid has a molecular weight of 153.14 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-ylmethylcarbamic acid is sourced from PubChem (CID 67216750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).