3-N-(2-phenylcyclopropyl)pyrazine-2,3-diamine

C13H14N4 — CID 113228947

IUPAC3-N-(2-phenylcyclopropyl)pyrazine-2,3-diamine
SMILESNc1nccnc1NC1CC1c1ccccc1
InChIInChI=1S/C13H14N4/c14-12-13(16-7-6-15-12)17-11-8-10(11)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H2,14,15)(H,16,17)
InChIKeyMIYVNRJNPBOONW-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.03
Rot. Bonds3

About 3-N-(2-phenylcyclopropyl)pyrazine-2,3-diamine

3-N-(2-phenylcyclopropyl)pyrazine-2,3-diamine (PubChem CID 113228947) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-N-(2-phenylcyclopropyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-(2-phenylcyclopropyl)pyrazine-2,3-diamine
PubChem CID113228947
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name3-N-(2-phenylcyclopropyl)pyrazine-2,3-diamine
SMILESNc1nccnc1NC1CC1c1ccccc1
InChIInChI=1S/C13H14N4/c14-12-13(16-7-6-15-12)17-11-8-10(11)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H2,14,15)(H,16,17)
InChIKeyMIYVNRJNPBOONW-UHFFFAOYSA-N
XLogP2.03
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-phenylcyclopropyl)pyrazine-2,3-diamine?
The IUPAC name of 3-N-(2-phenylcyclopropyl)pyrazine-2,3-diamine (CID 113228947) is 3-N-(2-phenylcyclopropyl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-(2-phenylcyclopropyl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N-(2-phenylcyclopropyl)pyrazine-2,3-diamine is Nc1nccnc1NC1CC1c1ccccc1.
What is the InChIKey of 3-N-(2-phenylcyclopropyl)pyrazine-2,3-diamine?
The InChIKey is MIYVNRJNPBOONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-12-13(16-7-6-15-12)17-11-8-10(11)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H2,14,15)(H,16,17).
What are the key properties of 3-N-(2-phenylcyclopropyl)pyrazine-2,3-diamine?
3-N-(2-phenylcyclopropyl)pyrazine-2,3-diamine has a molecular weight of 226.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-phenylcyclopropyl)pyrazine-2,3-diamine is sourced from PubChem (CID 113228947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).