6-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]pyridazine-3-carbonitrile

C15H17N5O — CID 133422561

IUPAC6-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]pyridazine-3-carbonitrile
SMILESCC(C)(C)Oc1cc(CNc2ccc(C#N)nn2)ccn1
InChIInChI=1S/C15H17N5O/c1-15(2,3)21-14-8-11(6-7-17-14)10-18-13-5-4-12(9-16)19-20-13/h4-8H,10H2,1-3H3,(H,18,20)
InChIKeyNPTZZLSZZRBODE-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.53
Rot. Bonds4

About 6-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]pyridazine-3-carbonitrile

6-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]pyridazine-3-carbonitrile (PubChem CID 133422561) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 6-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]pyridazine-3-carbonitrile
PubChem CID133422561
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name6-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]pyridazine-3-carbonitrile
SMILESCC(C)(C)Oc1cc(CNc2ccc(C#N)nn2)ccn1
InChIInChI=1S/C15H17N5O/c1-15(2,3)21-14-8-11(6-7-17-14)10-18-13-5-4-12(9-16)19-20-13/h4-8H,10H2,1-3H3,(H,18,20)
InChIKeyNPTZZLSZZRBODE-UHFFFAOYSA-N
XLogP2.53
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133422603
6-[(4-propan-2-yloxyphenyl)methylamino]pyridazine-3-carbonitrile
CID 133418268
4-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]-5-nitropyridin-2-amine
CID 133422618
1-[2-(3,3-dimethylbutoxy)-4-pyridinyl]-N-methylmethanamine
CID 66225919
[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methanol
CID 61257367
6-[[4-(4-fluorophenoxy)phenyl]methylamino]pyridazine-3-carbonitrile
CID 133432484
4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile
CID 103829289
6-ethyl-5-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]pyrimidin-4-amine
CID 133422610
6-[(2-methoxy-4-methylphenyl)methylamino]pyridazine-3-carbonitrile
CID 133419821
6-[(4-tert-butylcyclohexyl)methylamino]pyridazine-3-carbonitrile
CID 133420728
4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-2-carbonitrile
CID 133316749
4-[(3,3-dimethylbutan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 115752803

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]pyridazine-3-carbonitrile (CID 133422561) is 6-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]pyridazine-3-carbonitrile is CC(C)(C)Oc1cc(CNc2ccc(C#N)nn2)ccn1.
What is the InChIKey of 6-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]pyridazine-3-carbonitrile?
The InChIKey is NPTZZLSZZRBODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-15(2,3)21-14-8-11(6-7-17-14)10-18-13-5-4-12(9-16)19-20-13/h4-8H,10H2,1-3H3,(H,18,20).
What are the key properties of 6-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]pyridazine-3-carbonitrile?
6-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]pyridazine-3-carbonitrile has a molecular weight of 283.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133422561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).