N-propan-2-yl-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

C16H20N6 — CID 164622424

IUPACN-propan-2-yl-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCCCN(c1nccc(-c2cnn3ncccc23)n1)C(C)C
InChIInChI=1S/C16H20N6/c1-4-10-21(12(2)3)16-17-9-7-14(20-16)13-11-19-22-15(13)6-5-8-18-22/h5-9,11-12H,4,10H2,1-3H3
InChIKeyPSQKYBPMUJWQQM-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.81
Rot. Bonds5

About N-propan-2-yl-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

N-propan-2-yl-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (PubChem CID 164622424) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is N-propan-2-yl-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
PubChem CID164622424
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC NameN-propan-2-yl-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCCCN(c1nccc(-c2cnn3ncccc23)n1)C(C)C
InChIInChI=1S/C16H20N6/c1-4-10-21(12(2)3)16-17-9-7-14(20-16)13-11-19-22-15(13)6-5-8-18-22/h5-9,11-12H,4,10H2,1-3H3
InChIKeyPSQKYBPMUJWQQM-UHFFFAOYSA-N
XLogP2.81
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The IUPAC name of N-propan-2-yl-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (CID 164622424) is N-propan-2-yl-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-propan-2-yl-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-propan-2-yl-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is CCCN(c1nccc(-c2cnn3ncccc23)n1)C(C)C.
What is the InChIKey of N-propan-2-yl-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The InChIKey is PSQKYBPMUJWQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-4-10-21(12(2)3)16-17-9-7-14(20-16)13-11-19-22-15(13)6-5-8-18-22/h5-9,11-12H,4,10H2,1-3H3.
What are the key properties of N-propan-2-yl-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
N-propan-2-yl-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine has a molecular weight of 296.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-propyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 164622424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).