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

C12H17N5O — CID 114399299

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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