5-amino-3-(2-fluoropropan-2-yl)pyrazine-2-carbonitrile

C8H9FN4 — CID 165381138

IUPAC5-amino-3-(2-fluoropropan-2-yl)pyrazine-2-carbonitrile
SMILESCC(C)(F)c1nc(N)cnc1C#N
InChIInChI=1S/C8H9FN4/c1-8(2,9)7-5(3-10)12-4-6(11)13-7/h4H,1-2H3,(H2,11,13)
InChIKeyHTPHUHDRYMAKQN-UHFFFAOYSA-N
MW180.19 g/mol
LogP1.14
Rot. Bonds1

About 5-amino-3-(2-fluoropropan-2-yl)pyrazine-2-carbonitrile

5-amino-3-(2-fluoropropan-2-yl)pyrazine-2-carbonitrile (PubChem CID 165381138) has the molecular formula C8H9FN4 and a molecular weight of 180.19 g/mol. Its IUPAC name is 5-amino-3-(2-fluoropropan-2-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(2-fluoropropan-2-yl)pyrazine-2-carbonitrile
PubChem CID165381138
Molecular FormulaC8H9FN4
Molecular Weight180.19 g/mol
Exact Mass180.08
IUPAC Name5-amino-3-(2-fluoropropan-2-yl)pyrazine-2-carbonitrile
SMILESCC(C)(F)c1nc(N)cnc1C#N
InChIInChI=1S/C8H9FN4/c1-8(2,9)7-5(3-10)12-4-6(11)13-7/h4H,1-2H3,(H2,11,13)
InChIKeyHTPHUHDRYMAKQN-UHFFFAOYSA-N
XLogP1.14
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-fluoropropan-2-yl)pyrazine-2-carbonitrile?
The IUPAC name of 5-amino-3-(2-fluoropropan-2-yl)pyrazine-2-carbonitrile (CID 165381138) is 5-amino-3-(2-fluoropropan-2-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-amino-3-(2-fluoropropan-2-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-amino-3-(2-fluoropropan-2-yl)pyrazine-2-carbonitrile is CC(C)(F)c1nc(N)cnc1C#N.
What is the InChIKey of 5-amino-3-(2-fluoropropan-2-yl)pyrazine-2-carbonitrile?
The InChIKey is HTPHUHDRYMAKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4/c1-8(2,9)7-5(3-10)12-4-6(11)13-7/h4H,1-2H3,(H2,11,13).
What are the key properties of 5-amino-3-(2-fluoropropan-2-yl)pyrazine-2-carbonitrile?
5-amino-3-(2-fluoropropan-2-yl)pyrazine-2-carbonitrile has a molecular weight of 180.19 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-fluoropropan-2-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 165381138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).