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

C13H23N5O — CID 82943985

IUPAC3-ethyl-1-methyl-6-(3-propoxypropyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCCOCCCn1c(N)nc2c(CC)nn(C)c21
InChIInChI=1S/C13H23N5O/c1-4-8-19-9-6-7-18-12-11(15-13(18)14)10(5-2)16-17(12)3/h4-9H2,1-3H3,(H2,14,15)
InChIKeyKCGGGXZRFNBYFT-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.73
Rot. Bonds7

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

3-ethyl-1-methyl-6-(3-propoxypropyl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 82943985) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-ethyl-1-methyl-6-(3-propoxypropyl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-6-(3-propoxypropyl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID82943985
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name3-ethyl-1-methyl-6-(3-propoxypropyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCCOCCCn1c(N)nc2c(CC)nn(C)c21
InChIInChI=1S/C13H23N5O/c1-4-8-19-9-6-7-18-12-11(15-13(18)14)10(5-2)16-17(12)3/h4-9H2,1-3H3,(H2,14,15)
InChIKeyKCGGGXZRFNBYFT-UHFFFAOYSA-N
XLogP1.73
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-6-(3-propoxypropyl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 3-ethyl-1-methyl-6-(3-propoxypropyl)imidazo[4,5-d]pyrazol-5-amine (CID 82943985) is 3-ethyl-1-methyl-6-(3-propoxypropyl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 3-ethyl-1-methyl-6-(3-propoxypropyl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 3-ethyl-1-methyl-6-(3-propoxypropyl)imidazo[4,5-d]pyrazol-5-amine is CCCOCCCn1c(N)nc2c(CC)nn(C)c21.
What is the InChIKey of 3-ethyl-1-methyl-6-(3-propoxypropyl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is KCGGGXZRFNBYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-8-19-9-6-7-18-12-11(15-13(18)14)10(5-2)16-17(12)3/h4-9H2,1-3H3,(H2,14,15).
What are the key properties of 3-ethyl-1-methyl-6-(3-propoxypropyl)imidazo[4,5-d]pyrazol-5-amine?
3-ethyl-1-methyl-6-(3-propoxypropyl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 265.36 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-6-(3-propoxypropyl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 82943985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).