1-phenyl-N-pyrazin-2-ylethane-1,2-diamine

C12H14N4 — CID 63761180

IUPAC1-phenyl-N-pyrazin-2-ylethane-1,2-diamine
SMILESNCC(Nc1cnccn1)c1ccccc1
InChIInChI=1S/C12H14N4/c13-8-11(10-4-2-1-3-5-10)16-12-9-14-6-7-15-12/h1-7,9,11H,8,13H2,(H,15,16)
InChIKeyNEIODWQDNSIZPE-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.59
Rot. Bonds4

About 1-phenyl-N-pyrazin-2-ylethane-1,2-diamine

1-phenyl-N-pyrazin-2-ylethane-1,2-diamine (PubChem CID 63761180) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-phenyl-N-pyrazin-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-phenyl-N-pyrazin-2-ylethane-1,2-diamine
PubChem CID63761180
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name1-phenyl-N-pyrazin-2-ylethane-1,2-diamine
SMILESNCC(Nc1cnccn1)c1ccccc1
InChIInChI=1S/C12H14N4/c13-8-11(10-4-2-1-3-5-10)16-12-9-14-6-7-15-12/h1-7,9,11H,8,13H2,(H,15,16)
InChIKeyNEIODWQDNSIZPE-UHFFFAOYSA-N
XLogP1.59
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-2-(pyrazin-2-ylamino)ethanol
CID 63183280
N-(1-phenyl-2-phenylmethoxyethyl)pyrazin-2-amine
CID 133346280
(2S)-2-phenyl-2-pyrazin-2-ylethanamine
CID 129371603
1-phenyl-N-pyridazin-3-ylethane-1,2-diamine
CID 63760549
N-(3-chloro-4-pyridinyl)-1-phenylethane-1,2-diamine
CID 79840947
N-(6-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 63761958
4-methyl-2-N-pyrazin-2-ylpentane-1,2-diamine
CID 63759425
(2S)-2-[[2-[(4-fluorophenyl)methylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]-2-phenylethanol
CID 70863571
N-(3-methoxy-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 113371369
1-phenyl-N-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334028
N-(5-bromo-3-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 79718048
1-(3-methylphenyl)-N-phenylethane-1,2-diamine
CID 65380714

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-pyrazin-2-ylethane-1,2-diamine?
The IUPAC name of 1-phenyl-N-pyrazin-2-ylethane-1,2-diamine (CID 63761180) is 1-phenyl-N-pyrazin-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-phenyl-N-pyrazin-2-ylethane-1,2-diamine?
The canonical SMILES for 1-phenyl-N-pyrazin-2-ylethane-1,2-diamine is NCC(Nc1cnccn1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-pyrazin-2-ylethane-1,2-diamine?
The InChIKey is NEIODWQDNSIZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c13-8-11(10-4-2-1-3-5-10)16-12-9-14-6-7-15-12/h1-7,9,11H,8,13H2,(H,15,16).
What are the key properties of 1-phenyl-N-pyrazin-2-ylethane-1,2-diamine?
1-phenyl-N-pyrazin-2-ylethane-1,2-diamine has a molecular weight of 214.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-pyrazin-2-ylethane-1,2-diamine is sourced from PubChem (CID 63761180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).