4-[6-(propan-2-ylamino)pyridazin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine

C14H16N6 — CID 56896860

IUPAC4-[6-(propan-2-ylamino)pyridazin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCC(C)Nc1ccc(-c2cc(N)nc3[nH]ccc23)nn1
InChIInChI=1S/C14H16N6/c1-8(2)17-13-4-3-11(19-20-13)10-7-12(15)18-14-9(10)5-6-16-14/h3-8H,1-2H3,(H,17,20)(H3,15,16,18)
InChIKeyLDJFQXATUFXXNZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.42
Rot. Bonds3

About 4-[6-(propan-2-ylamino)pyridazin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine

4-[6-(propan-2-ylamino)pyridazin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56896860) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[6-(propan-2-ylamino)pyridazin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name4-[6-(propan-2-ylamino)pyridazin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID56896860
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name4-[6-(propan-2-ylamino)pyridazin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCC(C)Nc1ccc(-c2cc(N)nc3[nH]ccc23)nn1
InChIInChI=1S/C14H16N6/c1-8(2)17-13-4-3-11(19-20-13)10-7-12(15)18-14-9(10)5-6-16-14/h3-8H,1-2H3,(H,17,20)(H3,15,16,18)
InChIKeyLDJFQXATUFXXNZ-UHFFFAOYSA-N
XLogP2.42
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[6-(propan-2-ylamino)pyridazin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-(propan-2-ylamino)pyridazin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 4-[6-(propan-2-ylamino)pyridazin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56896860) is 4-[6-(propan-2-ylamino)pyridazin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 4-[6-(propan-2-ylamino)pyridazin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 4-[6-(propan-2-ylamino)pyridazin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine is CC(C)Nc1ccc(-c2cc(N)nc3[nH]ccc23)nn1.
What is the InChIKey of 4-[6-(propan-2-ylamino)pyridazin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is LDJFQXATUFXXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-8(2)17-13-4-3-11(19-20-13)10-7-12(15)18-14-9(10)5-6-16-14/h3-8H,1-2H3,(H,17,20)(H3,15,16,18).
What are the key properties of 4-[6-(propan-2-ylamino)pyridazin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
4-[6-(propan-2-ylamino)pyridazin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 268.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(propan-2-ylamino)pyridazin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56896860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).