3-N-[(1R)-1-phenylethyl]pyrazine-2,3-diamine

C12H14N4 — CID 66699794

IUPAC3-N-[(1R)-1-phenylethyl]pyrazine-2,3-diamine
SMILESC[C@@H](Nc1nccnc1N)c1ccccc1
InChIInChI=1S/C12H14N4/c1-9(10-5-3-2-4-6-10)16-12-11(13)14-7-8-15-12/h2-9H,1H3,(H2,13,14)(H,15,16)/t9-/m1/s1
InChIKeyNDKWJKYUBJZMFA-SECBINFHSA-N
MW214.27 g/mol
LogP2.23
Rot. Bonds3

About 3-N-[(1R)-1-phenylethyl]pyrazine-2,3-diamine

3-N-[(1R)-1-phenylethyl]pyrazine-2,3-diamine (PubChem CID 66699794) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-N-[(1R)-1-phenylethyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-[(1R)-1-phenylethyl]pyrazine-2,3-diamine
PubChem CID66699794
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name3-N-[(1R)-1-phenylethyl]pyrazine-2,3-diamine
SMILESC[C@@H](Nc1nccnc1N)c1ccccc1
InChIInChI=1S/C12H14N4/c1-9(10-5-3-2-4-6-10)16-12-11(13)14-7-8-15-12/h2-9H,1H3,(H2,13,14)(H,15,16)/t9-/m1/s1
InChIKeyNDKWJKYUBJZMFA-SECBINFHSA-N
XLogP2.23
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(1R)-1-phenylethyl]pyrazine-2,3-diamine?
The IUPAC name of 3-N-[(1R)-1-phenylethyl]pyrazine-2,3-diamine (CID 66699794) is 3-N-[(1R)-1-phenylethyl]pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-[(1R)-1-phenylethyl]pyrazine-2,3-diamine?
The canonical SMILES for 3-N-[(1R)-1-phenylethyl]pyrazine-2,3-diamine is C[C@@H](Nc1nccnc1N)c1ccccc1.
What is the InChIKey of 3-N-[(1R)-1-phenylethyl]pyrazine-2,3-diamine?
The InChIKey is NDKWJKYUBJZMFA-SECBINFHSA-N. The full InChI is InChI=1S/C12H14N4/c1-9(10-5-3-2-4-6-10)16-12-11(13)14-7-8-15-12/h2-9H,1H3,(H2,13,14)(H,15,16)/t9-/m1/s1.
What are the key properties of 3-N-[(1R)-1-phenylethyl]pyrazine-2,3-diamine?
3-N-[(1R)-1-phenylethyl]pyrazine-2,3-diamine has a molecular weight of 214.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(1R)-1-phenylethyl]pyrazine-2,3-diamine is sourced from PubChem (CID 66699794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).