1-ethyl-3-methyl-6-(oxolan-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine

C12H19N5O — CID 79305608

IUPAC1-ethyl-3-methyl-6-(oxolan-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(CC3CCCO3)c21
InChIInChI=1S/C12H19N5O/c1-3-17-11-10(8(2)15-17)14-12(13)16(11)7-9-5-4-6-18-9/h9H,3-7H2,1-2H3,(H2,13,14)
InChIKeyCUXLCPPUFFBPRS-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.32
Rot. Bonds3

About 1-ethyl-3-methyl-6-(oxolan-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine

1-ethyl-3-methyl-6-(oxolan-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79305608) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-(oxolan-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-(oxolan-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID79305608
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-ethyl-3-methyl-6-(oxolan-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(CC3CCCO3)c21
InChIInChI=1S/C12H19N5O/c1-3-17-11-10(8(2)15-17)14-12(13)16(11)7-9-5-4-6-18-9/h9H,3-7H2,1-2H3,(H2,13,14)
InChIKeyCUXLCPPUFFBPRS-UHFFFAOYSA-N
XLogP1.32
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-methyl-6-[(2-methylcyclohexyl)methyl]imidazo[4,5-d]pyrazol-5-amine
CID 79305208
1-ethyl-3-methyl-6-[(2-methylcyclopropyl)methyl]imidazo[4,5-d]pyrazol-5-amine
CID 113463957
6-(2,2-dimethylpropyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305690
6-cyclopentyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79304996
5-(1-chloroethyl)-6-(1,4-dioxan-2-ylmethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole
CID 79282972
1-ethyl-3-methyl-6-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 106406156
[3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]methanamine
CID 62550168
1-ethyl-6-(2-ethylsulfinylethyl)-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 113494979
5-(2-chloroethyl)-1,3-dimethyl-6-(oxan-2-ylmethyl)imidazo[4,5-d]pyrazole
CID 79297749
5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine
CID 165471860
1-ethyl-3-methyl-6-(1,3-thiazol-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79304809
1,3-dimethyl-6-(oxolan-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79297295

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-(oxolan-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1-ethyl-3-methyl-6-(oxolan-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine (CID 79305608) is 1-ethyl-3-methyl-6-(oxolan-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1-ethyl-3-methyl-6-(oxolan-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1-ethyl-3-methyl-6-(oxolan-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(CC3CCCO3)c21.
What is the InChIKey of 1-ethyl-3-methyl-6-(oxolan-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is CUXLCPPUFFBPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-17-11-10(8(2)15-17)14-12(13)16(11)7-9-5-4-6-18-9/h9H,3-7H2,1-2H3,(H2,13,14).
What are the key properties of 1-ethyl-3-methyl-6-(oxolan-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine?
1-ethyl-3-methyl-6-(oxolan-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 249.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-(oxolan-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79305608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).