3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbonitrile

C12H16N4O — CID 103794641

IUPAC3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbonitrile
SMILESCOCCC1(CNc2nccnc2C#N)CC1
InChIInChI=1S/C12H16N4O/c1-17-7-4-12(2-3-12)9-16-11-10(8-13)14-5-6-15-11/h5-6H,2-4,7,9H2,1H3,(H,15,16)
InChIKeyQHHMJLJDISNLFY-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.58
Rot. Bonds6

About 3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbonitrile

3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbonitrile (PubChem CID 103794641) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbonitrile
PubChem CID103794641
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbonitrile
SMILESCOCCC1(CNc2nccnc2C#N)CC1
InChIInChI=1S/C12H16N4O/c1-17-7-4-12(2-3-12)9-16-11-10(8-13)14-5-6-15-11/h5-6H,2-4,7,9H2,1H3,(H,15,16)
InChIKeyQHHMJLJDISNLFY-UHFFFAOYSA-N
XLogP1.58
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyrazine-2-carbonitrile
CID 133491690
3-(2-methoxyethylamino)pyrazine-2-carbonitrile
CID 62671434
3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbothioamide
CID 114112950
3-chloro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridin-2-amine
CID 103794745
3-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]pyrazine-2-carbonitrile
CID 122562947
3-(4-methoxybutylamino)pyrazine-2-carbonitrile
CID 62673581
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 106544677
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thieno[3,2-c]pyridin-4-amine
CID 103794661
3-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrazine-2-carbonitrile
CID 113362481
2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzonitrile
CID 114112946
3-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile
CID 133491875
4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-4,6-diamine
CID 114113412

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbonitrile (CID 103794641) is 3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbonitrile is COCCC1(CNc2nccnc2C#N)CC1.
What is the InChIKey of 3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbonitrile?
The InChIKey is QHHMJLJDISNLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-17-7-4-12(2-3-12)9-16-11-10(8-13)14-5-6-15-11/h5-6H,2-4,7,9H2,1H3,(H,15,16).
What are the key properties of 3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbonitrile?
3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 103794641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).