3-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridazine-4-carbonitrile

C12H12N4O — CID 80510431

IUPAC3-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridazine-4-carbonitrile
SMILESCc1occc1CN(C)c1nnccc1C#N
InChIInChI=1S/C12H12N4O/c1-9-11(4-6-17-9)8-16(2)12-10(7-13)3-5-14-15-12/h3-6H,8H2,1-2H3
InChIKeyHLRWCWVKJBFTGF-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.89
Rot. Bonds3

About 3-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridazine-4-carbonitrile

3-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridazine-4-carbonitrile (PubChem CID 80510431) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridazine-4-carbonitrile
PubChem CID80510431
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name3-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridazine-4-carbonitrile
SMILESCc1occc1CN(C)c1nnccc1C#N
InChIInChI=1S/C12H12N4O/c1-9-11(4-6-17-9)8-16(2)12-10(7-13)3-5-14-15-12/h3-6H,8H2,1-2H3
InChIKeyHLRWCWVKJBFTGF-UHFFFAOYSA-N
XLogP1.89
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridazine-4-carbonitrile (CID 80510431) is 3-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridazine-4-carbonitrile is Cc1occc1CN(C)c1nnccc1C#N.
What is the InChIKey of 3-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridazine-4-carbonitrile?
The InChIKey is HLRWCWVKJBFTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-9-11(4-6-17-9)8-16(2)12-10(7-13)3-5-14-15-12/h3-6H,8H2,1-2H3.
What are the key properties of 3-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridazine-4-carbonitrile?
3-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridazine-4-carbonitrile has a molecular weight of 228.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80510431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).