azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone

C13H20N4O — CID 107374083

IUPACazocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
SMILESCNc1cnc(C(=O)N2CCCCCCC2)cn1
InChIInChI=1S/C13H20N4O/c1-14-12-10-15-11(9-16-12)13(18)17-7-5-3-2-4-6-8-17/h9-10H,2-8H2,1H3,(H,14,16)
InChIKeyXKIJBNBKDGXHQJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.92
Rot. Bonds2

About azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone

azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone (PubChem CID 107374083) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
PubChem CID107374083
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Nameazocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
SMILESCNc1cnc(C(=O)N2CCCCCCC2)cn1
InChIInChI=1S/C13H20N4O/c1-14-12-10-15-11(9-16-12)13(18)17-7-5-3-2-4-6-8-17/h9-10H,2-8H2,1H3,(H,14,16)
InChIKeyXKIJBNBKDGXHQJ-UHFFFAOYSA-N
XLogP1.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(methylamino)pyrazin-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114238348
(3-methoxy-3-methylpiperidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone
CID 107394944
[5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274331
5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 117213082
(3,4-dimethoxypyrrolidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone
CID 107377317
[5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109272535
(2,2-dimethylmorpholin-4-yl)-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374614
azepan-1-yl-[5-(4-propan-2-ylanilino)pyrazin-2-yl]methanone
CID 109289223
(5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 30547276
azepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109279529
[5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278127
5-(methylamino)-N-(2-piperidin-1-ylpropyl)pyrazine-2-carboxamide
CID 107375177

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone?
The IUPAC name of azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone (CID 107374083) is azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone?
The canonical SMILES for azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone is CNc1cnc(C(=O)N2CCCCCCC2)cn1.
What is the InChIKey of azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone?
The InChIKey is XKIJBNBKDGXHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-14-12-10-15-11(9-16-12)13(18)17-7-5-3-2-4-6-8-17/h9-10H,2-8H2,1H3,(H,14,16).
What are the key properties of azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone?
azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone has a molecular weight of 248.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 107374083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).