1,3-dimethyl-6-(2,3,3-trimethylbutyl)imidazo[4,5-d]pyrazol-5-amine

C13H23N5 — CID 83144563

IUPAC1,3-dimethyl-6-(2,3,3-trimethylbutyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCc1nn(C)c2c1nc(N)n2CC(C)C(C)(C)C
InChIInChI=1S/C13H23N5/c1-8(13(3,4)5)7-18-11-10(15-12(18)14)9(2)16-17(11)6/h8H,7H2,1-6H3,(H2,14,15)
InChIKeyYCSUCOQNKXKGID-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.34
Rot. Bonds2

About 1,3-dimethyl-6-(2,3,3-trimethylbutyl)imidazo[4,5-d]pyrazol-5-amine

1,3-dimethyl-6-(2,3,3-trimethylbutyl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 83144563) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 1,3-dimethyl-6-(2,3,3-trimethylbutyl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-6-(2,3,3-trimethylbutyl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID83144563
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name1,3-dimethyl-6-(2,3,3-trimethylbutyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCc1nn(C)c2c1nc(N)n2CC(C)C(C)(C)C
InChIInChI=1S/C13H23N5/c1-8(13(3,4)5)7-18-11-10(15-12(18)14)9(2)16-17(11)6/h8H,7H2,1-6H3,(H2,14,15)
InChIKeyYCSUCOQNKXKGID-UHFFFAOYSA-N
XLogP2.34
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(2,3,3-trimethylbutyl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-6-(2,3,3-trimethylbutyl)imidazo[4,5-d]pyrazol-5-amine (CID 83144563) is 1,3-dimethyl-6-(2,3,3-trimethylbutyl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-6-(2,3,3-trimethylbutyl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-6-(2,3,3-trimethylbutyl)imidazo[4,5-d]pyrazol-5-amine is Cc1nn(C)c2c1nc(N)n2CC(C)C(C)(C)C.
What is the InChIKey of 1,3-dimethyl-6-(2,3,3-trimethylbutyl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is YCSUCOQNKXKGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-8(13(3,4)5)7-18-11-10(15-12(18)14)9(2)16-17(11)6/h8H,7H2,1-6H3,(H2,14,15).
What are the key properties of 1,3-dimethyl-6-(2,3,3-trimethylbutyl)imidazo[4,5-d]pyrazol-5-amine?
1,3-dimethyl-6-(2,3,3-trimethylbutyl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 249.36 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(2,3,3-trimethylbutyl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 83144563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).