3-methyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C19H21N7O — CID 75201815

IUPAC3-methyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCc1nnc2c(NC(C)C)cc(-c3cn(C)nc3Oc3ccccc3)nn12
InChIInChI=1S/C19H21N7O/c1-12(2)20-17-10-16(23-26-13(3)21-22-18(17)26)15-11-25(4)24-19(15)27-14-8-6-5-7-9-14/h5-12,20H,1-4H3
InChIKeyQNEMGQQTVGOFIC-UHFFFAOYSA-N
MW363.43 g/mol
LogP3.45
Rot. Bonds5

About 3-methyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

3-methyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 75201815) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 3-methyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound Name3-methyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID75201815
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name3-methyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCc1nnc2c(NC(C)C)cc(-c3cn(C)nc3Oc3ccccc3)nn12
InChIInChI=1S/C19H21N7O/c1-12(2)20-17-10-16(23-26-13(3)21-22-18(17)26)15-11-25(4)24-19(15)27-14-8-6-5-7-9-14/h5-12,20H,1-4H3
InChIKeyQNEMGQQTVGOFIC-UHFFFAOYSA-N
XLogP3.45
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of 3-methyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 75201815) is 3-methyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for 3-methyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for 3-methyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is Cc1nnc2c(NC(C)C)cc(-c3cn(C)nc3Oc3ccccc3)nn12.
What is the InChIKey of 3-methyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is QNEMGQQTVGOFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-12(2)20-17-10-16(23-26-13(3)21-22-18(17)26)15-11-25(4)24-19(15)27-14-8-6-5-7-9-14/h5-12,20H,1-4H3.
What are the key properties of 3-methyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
3-methyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 363.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(1-methyl-3-phenoxypyrazol-4-yl)-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 75201815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).