5,6-dimethyl-3-[[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]amino]pyridazine-4-carbonitrile

C15H18N6O — CID 94435731

IUPAC5,6-dimethyl-3-[[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]amino]pyridazine-4-carbonitrile
SMILESCc1nnc(Nc2cnn(C[C@@H]3CCCO3)c2)c(C#N)c1C
InChIInChI=1S/C15H18N6O/c1-10-11(2)19-20-15(14(10)6-16)18-12-7-17-21(8-12)9-13-4-3-5-22-13/h7-8,13H,3-5,9H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyOTLZOUYMXMKZNI-ZDUSSCGKSA-N
MW298.35 g/mol
LogP2.08
Rot. Bonds4

About 5,6-dimethyl-3-[[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]amino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]amino]pyridazine-4-carbonitrile (PubChem CID 94435731) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]amino]pyridazine-4-carbonitrile
PubChem CID94435731
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name5,6-dimethyl-3-[[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]amino]pyridazine-4-carbonitrile
SMILESCc1nnc(Nc2cnn(C[C@@H]3CCCO3)c2)c(C#N)c1C
InChIInChI=1S/C15H18N6O/c1-10-11(2)19-20-15(14(10)6-16)18-12-7-17-21(8-12)9-13-4-3-5-22-13/h7-8,13H,3-5,9H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyOTLZOUYMXMKZNI-ZDUSSCGKSA-N
XLogP2.08
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]amino]pyridazine-4-carbonitrile (CID 94435731) is 5,6-dimethyl-3-[[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]amino]pyridazine-4-carbonitrile is Cc1nnc(Nc2cnn(C[C@@H]3CCCO3)c2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]amino]pyridazine-4-carbonitrile?
The InChIKey is OTLZOUYMXMKZNI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N6O/c1-10-11(2)19-20-15(14(10)6-16)18-12-7-17-21(8-12)9-13-4-3-5-22-13/h7-8,13H,3-5,9H2,1-2H3,(H,18,20)/t13-/m0/s1.
What are the key properties of 5,6-dimethyl-3-[[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]amino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]amino]pyridazine-4-carbonitrile has a molecular weight of 298.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 94435731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).