6-tert-butyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine

C11H19N5 — CID 79305542

IUPAC6-tert-butyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(C(C)(C)C)c21
InChIInChI=1S/C11H19N5/c1-6-15-9-8(7(2)14-15)13-10(12)16(9)11(3,4)5/h6H2,1-5H3,(H2,12,13)
InChIKeyCYBKCLHXBDXIBY-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.90
Rot. Bonds1

About 6-tert-butyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine

6-tert-butyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79305542) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 6-tert-butyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-tert-butyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79305542
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name6-tert-butyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(C(C)(C)C)c21
InChIInChI=1S/C11H19N5/c1-6-15-9-8(7(2)14-15)13-10(12)16(9)11(3,4)5/h6H2,1-5H3,(H2,12,13)
InChIKeyCYBKCLHXBDXIBY-UHFFFAOYSA-N
XLogP1.90
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-tert-butyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine (CID 79305542) is 6-tert-butyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-tert-butyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-tert-butyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(C(C)(C)C)c21.
What is the InChIKey of 6-tert-butyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is CYBKCLHXBDXIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-6-15-9-8(7(2)14-15)13-10(12)16(9)11(3,4)5/h6H2,1-5H3,(H2,12,13).
What are the key properties of 6-tert-butyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
6-tert-butyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 221.31 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79305542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).