3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile

C12H11N5O — CID 80515426

IUPAC3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile
SMILESCOc1ncccc1CNc1nnccc1C#N
InChIInChI=1S/C12H11N5O/c1-18-12-10(3-2-5-14-12)8-15-11-9(7-13)4-6-16-17-11/h2-6H,8H2,1H3,(H,15,17)
InChIKeyXDSNIXAWQPJQEX-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.36
Rot. Bonds4

About 3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile

3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile (PubChem CID 80515426) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile
PubChem CID80515426
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile
SMILESCOc1ncccc1CNc1nnccc1C#N
InChIInChI=1S/C12H11N5O/c1-18-12-10(3-2-5-14-12)8-15-11-9(7-13)4-6-16-17-11/h2-6H,8H2,1H3,(H,15,17)
InChIKeyXDSNIXAWQPJQEX-UHFFFAOYSA-N
XLogP1.36
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-ethylphenyl)methylamino]pyridazine-4-carbonitrile
CID 80509735
3-[(2-bromophenyl)methylamino]pyridazine-4-carbonitrile
CID 80510383
3-(naphthalen-1-ylmethylamino)pyridazine-4-carbonitrile
CID 80509832
4-bromo-2-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 114905243
3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-carbonitrile
CID 80509293
2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile
CID 114769703
2-chloro-6-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 60733884
1-(2-methoxy-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82724314
3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509420
4-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-thiadiazol-3-amine
CID 106192514
2-N-[(2-methoxy-3-pyridinyl)methyl]-4-methylpyridine-2,3-diamine
CID 114051199
2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile
CID 113228777

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile (CID 80515426) is 3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile is COc1ncccc1CNc1nnccc1C#N.
What is the InChIKey of 3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile?
The InChIKey is XDSNIXAWQPJQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-18-12-10(3-2-5-14-12)8-15-11-9(7-13)4-6-16-17-11/h2-6H,8H2,1H3,(H,15,17).
What are the key properties of 3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile?
3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile has a molecular weight of 241.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80515426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).