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

C12H17N5O — CID 114399299

IUPAC3-[2-(aminomethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N2CCOC(CN)C2)c(C#N)c1C
InChIInChI=1S/C12H17N5O/c1-8-9(2)15-16-12(11(8)6-14)17-3-4-18-10(5-13)7-17/h10H,3-5,7,13H2,1-2H3
InChIKeyMQFRWPFZFLFNFD-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.13
Rot. Bonds2

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

3-[2-(aminomethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 114399299) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[2-(aminomethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(aminomethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID114399299
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3-[2-(aminomethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N2CCOC(CN)C2)c(C#N)c1C
InChIInChI=1S/C12H17N5O/c1-8-9(2)15-16-12(11(8)6-14)17-3-4-18-10(5-13)7-17/h10H,3-5,7,13H2,1-2H3
InChIKeyMQFRWPFZFLFNFD-UHFFFAOYSA-N
XLogP0.13
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 79839253
3-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 95764327
5,6-dimethyl-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridazine-4-carbonitrile
CID 95281695
[4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine
CID 61337016
3-[4-(2-aminoethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 80515197
3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 103533404
3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 63091576
3-[2-(aminomethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 80514934
[(2S)-4-(5-ethyl-2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methanamine
CID 125436137
[(3R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide
CID 95623005
3-[(4aS,7aS)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 124729730
3-(2-ethylmorpholin-4-yl)-5,6-dimethylpyridazine-4-carboxylic acid
CID 62703015

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[2-(aminomethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile (CID 114399299) is 3-[2-(aminomethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[2-(aminomethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[2-(aminomethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(N2CCOC(CN)C2)c(C#N)c1C.
What is the InChIKey of 3-[2-(aminomethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is MQFRWPFZFLFNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-9(2)15-16-12(11(8)6-14)17-3-4-18-10(5-13)7-17/h10H,3-5,7,13H2,1-2H3.
What are the key properties of 3-[2-(aminomethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile?
3-[2-(aminomethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 247.30 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 114399299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).