3-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile

C12H16N4O2 — CID 79839253

IUPAC3-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N2CCOC(CO)C2)c(C#N)c1C
InChIInChI=1S/C12H16N4O2/c1-8-9(2)14-15-12(11(8)5-13)16-3-4-18-10(6-16)7-17/h10,17H,3-4,6-7H2,1-2H3
InChIKeyQSFMYRVSFZRRLA-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.16
Rot. Bonds2

About 3-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile

3-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 79839253) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID79839253
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N2CCOC(CO)C2)c(C#N)c1C
InChIInChI=1S/C12H16N4O2/c1-8-9(2)14-15-12(11(8)5-13)16-3-4-18-10(6-16)7-17/h10,17H,3-4,6-7H2,1-2H3
InChIKeyQSFMYRVSFZRRLA-UHFFFAOYSA-N
XLogP0.16
TPSA82.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile (CID 79839253) is 3-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(N2CCOC(CO)C2)c(C#N)c1C.
What is the InChIKey of 3-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is QSFMYRVSFZRRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8-9(2)14-15-12(11(8)5-13)16-3-4-18-10(6-16)7-17/h10,17H,3-4,6-7H2,1-2H3.
What are the key properties of 3-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile?
3-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 79839253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).