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

C11H17N5O — CID 79297295

IUPAC1,3-dimethyl-6-(oxolan-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCc1nn(C)c2c1nc(N)n2CC1CCOC1
InChIInChI=1S/C11H17N5O/c1-7-9-10(15(2)14-7)16(11(12)13-9)5-8-3-4-17-6-8/h8H,3-6H2,1-2H3,(H2,12,13)
InChIKeyWWKACONBDGFNPQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.70
Rot. Bonds2

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

1,3-dimethyl-6-(oxolan-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79297295) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1,3-dimethyl-6-(oxolan-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-6-(oxolan-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID79297295
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1,3-dimethyl-6-(oxolan-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCc1nn(C)c2c1nc(N)n2CC1CCOC1
InChIInChI=1S/C11H17N5O/c1-7-9-10(15(2)14-7)16(11(12)13-9)5-8-3-4-17-6-8/h8H,3-6H2,1-2H3,(H2,12,13)
InChIKeyWWKACONBDGFNPQ-UHFFFAOYSA-N
XLogP0.70
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297718
1,3-dimethyl-6-(2-methylsulfanylethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79296796
1,3-dimethyl-6-[3-(2-methylpiperidin-1-yl)propyl]imidazo[4,5-d]pyrazol-5-amine
CID 79274716
6-(2,2-dimethylbutyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 103462891
2-amino-1-(oxolan-3-ylmethyl)benzimidazole-4-carbonitrile
CID 113445020
1-ethyl-3-methyl-6-(oxolan-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79305608
1,3-dimethyl-6-(2,3,3-trimethylbutyl)imidazo[4,5-d]pyrazol-5-amine
CID 83144563
4-bromo-5-methyl-2-(oxolan-3-ylmethyl)triazole
CID 123139283
6,7-difluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine
CID 55119012
6-(2-cyclopentylethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305342
N-[3-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propyl]methanesulfonamide
CID 106338980
5-(chloromethyl)-6-(2-cyclopropylpropyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 113475688

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(oxolan-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-6-(oxolan-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine (CID 79297295) is 1,3-dimethyl-6-(oxolan-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-6-(oxolan-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-6-(oxolan-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine is Cc1nn(C)c2c1nc(N)n2CC1CCOC1.
What is the InChIKey of 1,3-dimethyl-6-(oxolan-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is WWKACONBDGFNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-7-9-10(15(2)14-7)16(11(12)13-9)5-8-3-4-17-6-8/h8H,3-6H2,1-2H3,(H2,12,13).
What are the key properties of 1,3-dimethyl-6-(oxolan-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine?
1,3-dimethyl-6-(oxolan-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 235.29 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(oxolan-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79297295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).