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

C16H25N5 — CID 79283031

IUPAC6-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(C(C)C3CC4CCC3C4)c21
InChIInChI=1S/C16H25N5/c1-4-20-15-14(9(2)19-20)18-16(17)21(15)10(3)13-8-11-5-6-12(13)7-11/h10-13H,4-8H2,1-3H3,(H2,17,18)
InChIKeyPVLVGRKOYLWTMP-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.14
Rot. Bonds3

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

6-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79283031) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 6-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79283031
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name6-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(C(C)C3CC4CCC3C4)c21
InChIInChI=1S/C16H25N5/c1-4-20-15-14(9(2)19-20)18-16(17)21(15)10(3)13-8-11-5-6-12(13)7-11/h10-13H,4-8H2,1-3H3,(H2,17,18)
InChIKeyPVLVGRKOYLWTMP-UHFFFAOYSA-N
XLogP3.14
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine (CID 79283031) is 6-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(C(C)C3CC4CCC3C4)c21.
What is the InChIKey of 6-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is PVLVGRKOYLWTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-4-20-15-14(9(2)19-20)18-16(17)21(15)10(3)13-8-11-5-6-12(13)7-11/h10-13H,4-8H2,1-3H3,(H2,17,18).
What are the key properties of 6-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
6-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 287.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79283031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).