(1-pyrazin-2-ylcyclopropyl)carbamic acid

C8H9N3O2 — CID 90991506

IUPAC(1-pyrazin-2-ylcyclopropyl)carbamic acid
SMILESO=C(O)NC1(c2cnccn2)CC1
InChIInChI=1S/C8H9N3O2/c12-7(13)11-8(1-2-8)6-5-9-3-4-10-6/h3-5,11H,1-2H2,(H,12,13)
InChIKeyIRRKWNLTEPDPIF-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.73
Rot. Bonds2

About (1-pyrazin-2-ylcyclopropyl)carbamic acid

(1-pyrazin-2-ylcyclopropyl)carbamic acid (PubChem CID 90991506) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is (1-pyrazin-2-ylcyclopropyl)carbamic acid.

Molecular Properties

Compound Name(1-pyrazin-2-ylcyclopropyl)carbamic acid
PubChem CID90991506
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name(1-pyrazin-2-ylcyclopropyl)carbamic acid
SMILESO=C(O)NC1(c2cnccn2)CC1
InChIInChI=1S/C8H9N3O2/c12-7(13)11-8(1-2-8)6-5-9-3-4-10-6/h3-5,11H,1-2H2,(H,12,13)
InChIKeyIRRKWNLTEPDPIF-UHFFFAOYSA-N
XLogP0.73
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-pyrazin-2-ylcyclopropyl)carbamic acid?
The IUPAC name of (1-pyrazin-2-ylcyclopropyl)carbamic acid (CID 90991506) is (1-pyrazin-2-ylcyclopropyl)carbamic acid.
What is the SMILES notation for (1-pyrazin-2-ylcyclopropyl)carbamic acid?
The canonical SMILES for (1-pyrazin-2-ylcyclopropyl)carbamic acid is O=C(O)NC1(c2cnccn2)CC1.
What is the InChIKey of (1-pyrazin-2-ylcyclopropyl)carbamic acid?
The InChIKey is IRRKWNLTEPDPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c12-7(13)11-8(1-2-8)6-5-9-3-4-10-6/h3-5,11H,1-2H2,(H,12,13).
What are the key properties of (1-pyrazin-2-ylcyclopropyl)carbamic acid?
(1-pyrazin-2-ylcyclopropyl)carbamic acid has a molecular weight of 179.18 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyrazin-2-ylcyclopropyl)carbamic acid is sourced from PubChem (CID 90991506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).