5,6-diethyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridazine-4-carbonitrile

C16H17N7 — CID 133439815

IUPAC5,6-diethyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(NCc2ccnc3ccnn23)c(C#N)c1CC
InChIInChI=1S/C16H17N7/c1-3-12-13(9-17)16(22-21-14(12)4-2)19-10-11-5-7-18-15-6-8-20-23(11)15/h5-8H,3-4,10H2,1-2H3,(H,19,22)
InChIKeyPHUGXTWCMXMEEQ-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.13
Rot. Bonds5

About 5,6-diethyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridazine-4-carbonitrile

5,6-diethyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridazine-4-carbonitrile (PubChem CID 133439815) has the molecular formula C16H17N7 and a molecular weight of 307.36 g/mol. Its IUPAC name is 5,6-diethyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridazine-4-carbonitrile
PubChem CID133439815
Molecular FormulaC16H17N7
Molecular Weight307.36 g/mol
Exact Mass307.15
IUPAC Name5,6-diethyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(NCc2ccnc3ccnn23)c(C#N)c1CC
InChIInChI=1S/C16H17N7/c1-3-12-13(9-17)16(22-21-14(12)4-2)19-10-11-5-7-18-15-6-8-20-23(11)15/h5-8H,3-4,10H2,1-2H3,(H,19,22)
InChIKeyPHUGXTWCMXMEEQ-UHFFFAOYSA-N
XLogP2.13
TPSA91.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridazine-4-carbonitrile (CID 133439815) is 5,6-diethyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridazine-4-carbonitrile is CCc1nnc(NCc2ccnc3ccnn23)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridazine-4-carbonitrile?
The InChIKey is PHUGXTWCMXMEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7/c1-3-12-13(9-17)16(22-21-14(12)4-2)19-10-11-5-7-18-15-6-8-20-23(11)15/h5-8H,3-4,10H2,1-2H3,(H,19,22).
What are the key properties of 5,6-diethyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridazine-4-carbonitrile?
5,6-diethyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridazine-4-carbonitrile has a molecular weight of 307.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 133439815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).