2-(1-phenylethyl)-1H-pyrazine-2,3-diamine

C12H16N4 — CID 154314670

IUPAC2-(1-phenylethyl)-1H-pyrazine-2,3-diamine
SMILESCC(c1ccccc1)C1(N)NC=CN=C1N
InChIInChI=1S/C12H16N4/c1-9(10-5-3-2-4-6-10)12(14)11(13)15-7-8-16-12/h2-9,16H,14H2,1H3,(H2,13,15)
InChIKeyUBYCZQMQDGTMII-UHFFFAOYSA-N
MW216.29 g/mol
LogP0.88
Rot. Bonds2

About 2-(1-phenylethyl)-1H-pyrazine-2,3-diamine

2-(1-phenylethyl)-1H-pyrazine-2,3-diamine (PubChem CID 154314670) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-(1-phenylethyl)-1H-pyrazine-2,3-diamine.

Molecular Properties

Compound Name2-(1-phenylethyl)-1H-pyrazine-2,3-diamine
PubChem CID154314670
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-(1-phenylethyl)-1H-pyrazine-2,3-diamine
SMILESCC(c1ccccc1)C1(N)NC=CN=C1N
InChIInChI=1S/C12H16N4/c1-9(10-5-3-2-4-6-10)12(14)11(13)15-7-8-16-12/h2-9,16H,14H2,1H3,(H2,13,15)
InChIKeyUBYCZQMQDGTMII-UHFFFAOYSA-N
XLogP0.88
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1S)-1-phenylethyl]-1H-1,3,5-triazine-2,4,6-triamine
CID 152769477
4-[(1R)-1-phenylethyl]-1H-pyrimidine-2,4-diamine
CID 152769458
1-(1-phenylethyl)cyclopropan-1-amine;hydrochloride
CID 138987875
[(1S)-1-phenylethyl]azanium
CID 7855572
3-(1-phenylethyl)azete
CID 54172101
O-(2-amino-1-phenylpropyl)hydroxylamine
CID 54305698
3-N-[(1R)-1-phenylethyl]pyrazine-2,3-diamine
CID 66699794
3-N-(1-phenylethyl)pyrazine-2,3-diamine
CID 66699795
benzene;cumene
CID 157215889
1-phenylethylbenzene
CID 11918
propan-2-ylcyclodecapentaene
CID 123508933
1-phenylethylbenzene
CID 142851428

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethyl)-1H-pyrazine-2,3-diamine?
The IUPAC name of 2-(1-phenylethyl)-1H-pyrazine-2,3-diamine (CID 154314670) is 2-(1-phenylethyl)-1H-pyrazine-2,3-diamine.
What is the SMILES notation for 2-(1-phenylethyl)-1H-pyrazine-2,3-diamine?
The canonical SMILES for 2-(1-phenylethyl)-1H-pyrazine-2,3-diamine is CC(c1ccccc1)C1(N)NC=CN=C1N.
What is the InChIKey of 2-(1-phenylethyl)-1H-pyrazine-2,3-diamine?
The InChIKey is UBYCZQMQDGTMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9(10-5-3-2-4-6-10)12(14)11(13)15-7-8-16-12/h2-9,16H,14H2,1H3,(H2,13,15).
What are the key properties of 2-(1-phenylethyl)-1H-pyrazine-2,3-diamine?
2-(1-phenylethyl)-1H-pyrazine-2,3-diamine has a molecular weight of 216.29 g/mol, XLogP of 0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethyl)-1H-pyrazine-2,3-diamine is sourced from PubChem (CID 154314670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).