6-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine

C16H19N5 — CID 79280309

IUPAC6-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2-c1ccc2c(c1)CCC2
InChIInChI=1S/C16H19N5/c1-3-13-14-15(20(2)19-13)21(16(17)18-14)12-8-7-10-5-4-6-11(10)9-12/h7-9H,3-6H2,1-2H3,(H2,17,18)
InChIKeyRKIZPGYAQYIBMX-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.39
Rot. Bonds2

About 6-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine

6-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79280309) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79280309
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name6-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2-c1ccc2c(c1)CCC2
InChIInChI=1S/C16H19N5/c1-3-13-14-15(20(2)19-13)21(16(17)18-14)12-8-7-10-5-4-6-11(10)9-12/h7-9H,3-6H2,1-2H3,(H2,17,18)
InChIKeyRKIZPGYAQYIBMX-UHFFFAOYSA-N
XLogP2.39
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine (CID 79280309) is 6-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine is CCc1nn(C)c2c1nc(N)n2-c1ccc2c(c1)CCC2.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is RKIZPGYAQYIBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-3-13-14-15(20(2)19-13)21(16(17)18-14)12-8-7-10-5-4-6-11(10)9-12/h7-9H,3-6H2,1-2H3,(H2,17,18).
What are the key properties of 6-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
6-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 281.36 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79280309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).