6-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine

C14H19N5O — CID 79297006

IUPAC6-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
SMILESCc1cc(C(C)n2c(N)nc3c(C)nn(C)c32)c(C)o1
InChIInChI=1S/C14H19N5O/c1-7-6-11(10(4)20-7)9(3)19-13-12(16-14(19)15)8(2)17-18(13)5/h6,9H,1-5H3,(H2,15,16)
InChIKeyOLFPPSDCQBVBLK-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.48
Rot. Bonds2

About 6-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine

6-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79297006) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79297006
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name6-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
SMILESCc1cc(C(C)n2c(N)nc3c(C)nn(C)c32)c(C)o1
InChIInChI=1S/C14H19N5O/c1-7-6-11(10(4)20-7)9(3)19-13-12(16-14(19)15)8(2)17-18(13)5/h6,9H,1-5H3,(H2,15,16)
InChIKeyOLFPPSDCQBVBLK-UHFFFAOYSA-N
XLogP2.48
TPSA74.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine (CID 79297006) is 6-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine is Cc1cc(C(C)n2c(N)nc3c(C)nn(C)c32)c(C)o1.
What is the InChIKey of 6-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is OLFPPSDCQBVBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-7-6-11(10(4)20-7)9(3)19-13-12(16-14(19)15)8(2)17-18(13)5/h6,9H,1-5H3,(H2,15,16).
What are the key properties of 6-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
6-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 273.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79297006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).