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

C14H18N6 — CID 79299984

IUPAC3-ethyl-1-methyl-6-(1-pyridin-3-ylethyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2C(C)c1cccnc1
InChIInChI=1S/C14H18N6/c1-4-11-12-13(19(3)18-11)20(14(15)17-12)9(2)10-6-5-7-16-8-10/h5-9H,4H2,1-3H3,(H2,15,17)
InChIKeyNRTKWIRDHIDRPM-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.92
Rot. Bonds3

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

3-ethyl-1-methyl-6-(1-pyridin-3-ylethyl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79299984) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-ethyl-1-methyl-6-(1-pyridin-3-ylethyl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-6-(1-pyridin-3-ylethyl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID79299984
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name3-ethyl-1-methyl-6-(1-pyridin-3-ylethyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2C(C)c1cccnc1
InChIInChI=1S/C14H18N6/c1-4-11-12-13(19(3)18-11)20(14(15)17-12)9(2)10-6-5-7-16-8-10/h5-9H,4H2,1-3H3,(H2,15,17)
InChIKeyNRTKWIRDHIDRPM-UHFFFAOYSA-N
XLogP1.92
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-6-(1-pyridin-3-ylethyl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 3-ethyl-1-methyl-6-(1-pyridin-3-ylethyl)imidazo[4,5-d]pyrazol-5-amine (CID 79299984) is 3-ethyl-1-methyl-6-(1-pyridin-3-ylethyl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 3-ethyl-1-methyl-6-(1-pyridin-3-ylethyl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 3-ethyl-1-methyl-6-(1-pyridin-3-ylethyl)imidazo[4,5-d]pyrazol-5-amine is CCc1nn(C)c2c1nc(N)n2C(C)c1cccnc1.
What is the InChIKey of 3-ethyl-1-methyl-6-(1-pyridin-3-ylethyl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is NRTKWIRDHIDRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-4-11-12-13(19(3)18-11)20(14(15)17-12)9(2)10-6-5-7-16-8-10/h5-9H,4H2,1-3H3,(H2,15,17).
What are the key properties of 3-ethyl-1-methyl-6-(1-pyridin-3-ylethyl)imidazo[4,5-d]pyrazol-5-amine?
3-ethyl-1-methyl-6-(1-pyridin-3-ylethyl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 270.34 g/mol, XLogP of 1.92, 3 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-(1-pyridin-3-ylethyl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79299984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).