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

C13H22N6 — CID 79296785

IUPAC1,3-dimethyl-6-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine
SMILESCc1nn(C)c2c1nc(N)n2C(C)CN1CCCC1
InChIInChI=1S/C13H22N6/c1-9(8-18-6-4-5-7-18)19-12-11(15-13(19)14)10(2)16-17(12)3/h9H,4-8H2,1-3H3,(H2,14,15)
InChIKeyUIBJWOFWBGRUNZ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.32
Rot. Bonds3

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

1,3-dimethyl-6-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79296785) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1,3-dimethyl-6-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-6-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID79296785
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name1,3-dimethyl-6-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine
SMILESCc1nn(C)c2c1nc(N)n2C(C)CN1CCCC1
InChIInChI=1S/C13H22N6/c1-9(8-18-6-4-5-7-18)19-12-11(15-13(19)14)10(2)16-17(12)3/h9H,4-8H2,1-3H3,(H2,14,15)
InChIKeyUIBJWOFWBGRUNZ-UHFFFAOYSA-N
XLogP1.32
TPSA64.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-6-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine (CID 79296785) is 1,3-dimethyl-6-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-6-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-6-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine is Cc1nn(C)c2c1nc(N)n2C(C)CN1CCCC1.
What is the InChIKey of 1,3-dimethyl-6-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is UIBJWOFWBGRUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-9(8-18-6-4-5-7-18)19-12-11(15-13(19)14)10(2)16-17(12)3/h9H,4-8H2,1-3H3,(H2,14,15).
What are the key properties of 1,3-dimethyl-6-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine?
1,3-dimethyl-6-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 262.36 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 1,3-dimethyl-6-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79296785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).