3-ethyl-1-methyl-6-[1-(1,3-thiazol-2-yl)propyl]imidazo[4,5-d]pyrazol-5-amine

C13H18N6S — CID 79299995

IUPAC3-ethyl-1-methyl-6-[1-(1,3-thiazol-2-yl)propyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2C(CC)c1nccs1
InChIInChI=1S/C13H18N6S/c1-4-8-10-12(18(3)17-8)19(13(14)16-10)9(5-2)11-15-6-7-20-11/h6-7,9H,4-5H2,1-3H3,(H2,14,16)
InChIKeyFBFBVYXORAWNDB-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.37
Rot. Bonds4

About 3-ethyl-1-methyl-6-[1-(1,3-thiazol-2-yl)propyl]imidazo[4,5-d]pyrazol-5-amine

3-ethyl-1-methyl-6-[1-(1,3-thiazol-2-yl)propyl]imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79299995) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is 3-ethyl-1-methyl-6-[1-(1,3-thiazol-2-yl)propyl]imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-6-[1-(1,3-thiazol-2-yl)propyl]imidazo[4,5-d]pyrazol-5-amine
PubChem CID79299995
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Name3-ethyl-1-methyl-6-[1-(1,3-thiazol-2-yl)propyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2C(CC)c1nccs1
InChIInChI=1S/C13H18N6S/c1-4-8-10-12(18(3)17-8)19(13(14)16-10)9(5-2)11-15-6-7-20-11/h6-7,9H,4-5H2,1-3H3,(H2,14,16)
InChIKeyFBFBVYXORAWNDB-UHFFFAOYSA-N
XLogP2.37
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-6-[1-(1,3-thiazol-2-yl)propyl]imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 3-ethyl-1-methyl-6-[1-(1,3-thiazol-2-yl)propyl]imidazo[4,5-d]pyrazol-5-amine (CID 79299995) is 3-ethyl-1-methyl-6-[1-(1,3-thiazol-2-yl)propyl]imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 3-ethyl-1-methyl-6-[1-(1,3-thiazol-2-yl)propyl]imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 3-ethyl-1-methyl-6-[1-(1,3-thiazol-2-yl)propyl]imidazo[4,5-d]pyrazol-5-amine is CCc1nn(C)c2c1nc(N)n2C(CC)c1nccs1.
What is the InChIKey of 3-ethyl-1-methyl-6-[1-(1,3-thiazol-2-yl)propyl]imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is FBFBVYXORAWNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c1-4-8-10-12(18(3)17-8)19(13(14)16-10)9(5-2)11-15-6-7-20-11/h6-7,9H,4-5H2,1-3H3,(H2,14,16).
What are the key properties of 3-ethyl-1-methyl-6-[1-(1,3-thiazol-2-yl)propyl]imidazo[4,5-d]pyrazol-5-amine?
3-ethyl-1-methyl-6-[1-(1,3-thiazol-2-yl)propyl]imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 290.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-6-[1-(1,3-thiazol-2-yl)propyl]imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79299995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).