6-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine

C15H23N5 — CID 79284544

IUPAC6-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(CC3CC4CCC3C4)c21
InChIInChI=1S/C15H23N5/c1-3-20-14-13(9(2)18-20)17-15(16)19(14)8-12-7-10-4-5-11(12)6-10/h10-12H,3-8H2,1-2H3,(H2,16,17)
InChIKeyVZJPHIQIQMKCHV-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.58
Rot. Bonds3

About 6-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine

6-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79284544) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79284544
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name6-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(CC3CC4CCC3C4)c21
InChIInChI=1S/C15H23N5/c1-3-20-14-13(9(2)18-20)17-15(16)19(14)8-12-7-10-4-5-11(12)6-10/h10-12H,3-8H2,1-2H3,(H2,16,17)
InChIKeyVZJPHIQIQMKCHV-UHFFFAOYSA-N
XLogP2.58
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine (CID 79284544) is 6-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(CC3CC4CCC3C4)c21.
What is the InChIKey of 6-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is VZJPHIQIQMKCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-3-20-14-13(9(2)18-20)17-15(16)19(14)8-12-7-10-4-5-11(12)6-10/h10-12H,3-8H2,1-2H3,(H2,16,17).
What are the key properties of 6-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
6-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 273.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79284544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).