6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile

C18H18N6 — CID 133420123

IUPAC6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile
SMILESCC(C)c1nn(-c2ccccc2)cc1CNc1ccc(C#N)nn1
InChIInChI=1S/C18H18N6/c1-13(2)18-14(11-20-17-9-8-15(10-19)21-22-17)12-24(23-18)16-6-4-3-5-7-16/h3-9,12-13H,11H2,1-2H3,(H,20,22)
InChIKeyKMYYTGSTUGPTDQ-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.27
Rot. Bonds5

About 6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile

6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile (PubChem CID 133420123) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile
PubChem CID133420123
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile
SMILESCC(C)c1nn(-c2ccccc2)cc1CNc1ccc(C#N)nn1
InChIInChI=1S/C18H18N6/c1-13(2)18-14(11-20-17-9-8-15(10-19)21-22-17)12-24(23-18)16-6-4-3-5-7-16/h3-9,12-13H,11H2,1-2H3,(H,20,22)
InChIKeyKMYYTGSTUGPTDQ-UHFFFAOYSA-N
XLogP3.27
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridazin-3-amine
CID 133380129
N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 133380218
6-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyridazine-3-carbonitrile
CID 133421869
3-nitro-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 133420120
1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol
CID 111118849
N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-2H-benzotriazol-5-amine
CID 71845500
4-methoxy-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 133380147
6-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile
CID 133432328
3,3-dimethyl-4-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-1-ol
CID 111470664
5-morpholin-4-ylsulfonyl-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-2-amine
CID 133380160
4,5-dimethyl-2-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137264925
6-[(4-propan-2-yloxyphenyl)methylamino]pyridazine-3-carbonitrile
CID 133418268

Frequently Asked Questions

What is the IUPAC name of 6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile (CID 133420123) is 6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile is CC(C)c1nn(-c2ccccc2)cc1CNc1ccc(C#N)nn1.
What is the InChIKey of 6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile?
The InChIKey is KMYYTGSTUGPTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-13(2)18-14(11-20-17-9-8-15(10-19)21-22-17)12-24(23-18)16-6-4-3-5-7-16/h3-9,12-13H,11H2,1-2H3,(H,20,22).
What are the key properties of 6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile?
6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile has a molecular weight of 318.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133420123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).