3-(2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine

C14H12N8 — CID 62706476

IUPAC3-(2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine
SMILESCc1nccc(-c2c(Nc3ccn[nH]3)nc3cccnn23)n1
InChIInChI=1S/C14H12N8/c1-9-15-7-4-10(18-9)13-14(19-11-5-8-16-21-11)20-12-3-2-6-17-22(12)13/h2-8H,1H3,(H2,16,19,21)
InChIKeyCWYLZDNXUUUUJJ-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.96
Rot. Bonds3

About 3-(2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine

3-(2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine (PubChem CID 62706476) has the molecular formula C14H12N8 and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-(2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine.

Molecular Properties

Compound Name3-(2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine
PubChem CID62706476
Molecular FormulaC14H12N8
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name3-(2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine
SMILESCc1nccc(-c2c(Nc3ccn[nH]3)nc3cccnn23)n1
InChIInChI=1S/C14H12N8/c1-9-15-7-4-10(18-9)13-14(19-11-5-8-16-21-11)20-12-3-2-6-17-22(12)13/h2-8H,1H3,(H2,16,19,21)
InChIKeyCWYLZDNXUUUUJJ-UHFFFAOYSA-N
XLogP1.96
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine?
The IUPAC name of 3-(2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine (CID 62706476) is 3-(2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine.
What is the SMILES notation for 3-(2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine?
The canonical SMILES for 3-(2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine is Cc1nccc(-c2c(Nc3ccn[nH]3)nc3cccnn23)n1.
What is the InChIKey of 3-(2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine?
The InChIKey is CWYLZDNXUUUUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N8/c1-9-15-7-4-10(18-9)13-14(19-11-5-8-16-21-11)20-12-3-2-6-17-22(12)13/h2-8H,1H3,(H2,16,19,21).
What are the key properties of 3-(2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine?
3-(2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine has a molecular weight of 292.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine is sourced from PubChem (CID 62706476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).