2-amino-1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile

C8H8FN5 — CID 131176703

IUPAC2-amino-1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1nc(N)n(CCCF)c1C#N
InChIInChI=1S/C8H8FN5/c9-2-1-3-14-7(5-11)6(4-10)13-8(14)12/h1-3H2,(H2,12,13)
InChIKeyTZYXIGRBFAVSIH-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.57
Rot. Bonds3

About 2-amino-1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile

2-amino-1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile (PubChem CID 131176703) has the molecular formula C8H8FN5 and a molecular weight of 193.18 g/mol. Its IUPAC name is 2-amino-1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile
PubChem CID131176703
Molecular FormulaC8H8FN5
Molecular Weight193.18 g/mol
Exact Mass193.08
IUPAC Name2-amino-1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1nc(N)n(CCCF)c1C#N
InChIInChI=1S/C8H8FN5/c9-2-1-3-14-7(5-11)6(4-10)13-8(14)12/h1-3H2,(H2,12,13)
InChIKeyTZYXIGRBFAVSIH-UHFFFAOYSA-N
XLogP0.57
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 2-amino-1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile (CID 131176703) is 2-amino-1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-amino-1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 2-amino-1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile is N#Cc1nc(N)n(CCCF)c1C#N.
What is the InChIKey of 2-amino-1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile?
The InChIKey is TZYXIGRBFAVSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5/c9-2-1-3-14-7(5-11)6(4-10)13-8(14)12/h1-3H2,(H2,12,13).
What are the key properties of 2-amino-1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile?
2-amino-1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile has a molecular weight of 193.18 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 131176703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).