3-aminopropyl(pyrazin-2-ylmethyl)carbamic acid

C9H14N4O2 — CID 68623273

IUPAC3-aminopropyl(pyrazin-2-ylmethyl)carbamic acid
SMILESNCCCN(Cc1cnccn1)C(=O)O
InChIInChI=1S/C9H14N4O2/c10-2-1-5-13(9(14)15)7-8-6-11-3-4-12-8/h3-4,6H,1-2,5,7,10H2,(H,14,15)
InChIKeyFIZNNHPUSSXINZ-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.31
Rot. Bonds5

About 3-aminopropyl(pyrazin-2-ylmethyl)carbamic acid

3-aminopropyl(pyrazin-2-ylmethyl)carbamic acid (PubChem CID 68623273) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-aminopropyl(pyrazin-2-ylmethyl)carbamic acid.

Molecular Properties

Compound Name3-aminopropyl(pyrazin-2-ylmethyl)carbamic acid
PubChem CID68623273
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-aminopropyl(pyrazin-2-ylmethyl)carbamic acid
SMILESNCCCN(Cc1cnccn1)C(=O)O
InChIInChI=1S/C9H14N4O2/c10-2-1-5-13(9(14)15)7-8-6-11-3-4-12-8/h3-4,6H,1-2,5,7,10H2,(H,14,15)
InChIKeyFIZNNHPUSSXINZ-UHFFFAOYSA-N
XLogP0.31
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl(pyrazin-2-ylmethyl)carbamic acid?
The IUPAC name of 3-aminopropyl(pyrazin-2-ylmethyl)carbamic acid (CID 68623273) is 3-aminopropyl(pyrazin-2-ylmethyl)carbamic acid.
What is the SMILES notation for 3-aminopropyl(pyrazin-2-ylmethyl)carbamic acid?
The canonical SMILES for 3-aminopropyl(pyrazin-2-ylmethyl)carbamic acid is NCCCN(Cc1cnccn1)C(=O)O.
What is the InChIKey of 3-aminopropyl(pyrazin-2-ylmethyl)carbamic acid?
The InChIKey is FIZNNHPUSSXINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-2-1-5-13(9(14)15)7-8-6-11-3-4-12-8/h3-4,6H,1-2,5,7,10H2,(H,14,15).
What are the key properties of 3-aminopropyl(pyrazin-2-ylmethyl)carbamic acid?
3-aminopropyl(pyrazin-2-ylmethyl)carbamic acid has a molecular weight of 210.24 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl(pyrazin-2-ylmethyl)carbamic acid is sourced from PubChem (CID 68623273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).