6-cycloheptyloxy-N-methylpyrazin-2-amine

C12H19N3O — CID 80871369

IUPAC6-cycloheptyloxy-N-methylpyrazin-2-amine
SMILESCNc1cncc(OC2CCCCCC2)n1
InChIInChI=1S/C12H19N3O/c1-13-11-8-14-9-12(15-11)16-10-6-4-2-3-5-7-10/h8-10H,2-7H2,1H3,(H,13,15)
InChIKeyMHSMAGUSXYJCHI-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.62
Rot. Bonds3

About 6-cycloheptyloxy-N-methylpyrazin-2-amine

6-cycloheptyloxy-N-methylpyrazin-2-amine (PubChem CID 80871369) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-cycloheptyloxy-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-cycloheptyloxy-N-methylpyrazin-2-amine
PubChem CID80871369
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name6-cycloheptyloxy-N-methylpyrazin-2-amine
SMILESCNc1cncc(OC2CCCCCC2)n1
InChIInChI=1S/C12H19N3O/c1-13-11-8-14-9-12(15-11)16-10-6-4-2-3-5-7-10/h8-10H,2-7H2,1H3,(H,13,15)
InChIKeyMHSMAGUSXYJCHI-UHFFFAOYSA-N
XLogP2.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclohexyloxy-N-methylpyrazin-2-amine
CID 80858720
2-N-cyclooctyl-6-N-methylpyrazine-2,6-diamine
CID 80785345
6-cyclopentyloxypyrazin-2-amine
CID 66520317
6-cyclohexyloxy-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine
CID 133484872
6-cyclobutyloxypyrazin-2-amine
CID 66520287
6-cyclohexyloxy-N-[1-(oxolan-3-yloxy)propan-2-yl]pyrazin-2-amine
CID 133485988
2-N-cyclohexyl-2-N,6-N-dimethylpyrazine-2,6-diamine
CID 80762053
N-ethyl-6-(4-methylcyclohexyl)oxypyrazin-2-amine
CID 80858436
6-methoxy-N-methylpyrazin-2-amine;hydrochloride
CID 162308238
N-methyl-6-[(3-methylcyclohexyl)methoxy]pyrazin-2-amine
CID 114197434
N-ethyl-6-(oxan-4-yloxy)pyrazin-2-amine
CID 80873136
6-cyclohexyloxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pyrazin-2-amine
CID 133484073

Frequently Asked Questions

What is the IUPAC name of 6-cycloheptyloxy-N-methylpyrazin-2-amine?
The IUPAC name of 6-cycloheptyloxy-N-methylpyrazin-2-amine (CID 80871369) is 6-cycloheptyloxy-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-cycloheptyloxy-N-methylpyrazin-2-amine?
The canonical SMILES for 6-cycloheptyloxy-N-methylpyrazin-2-amine is CNc1cncc(OC2CCCCCC2)n1.
What is the InChIKey of 6-cycloheptyloxy-N-methylpyrazin-2-amine?
The InChIKey is MHSMAGUSXYJCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-13-11-8-14-9-12(15-11)16-10-6-4-2-3-5-7-10/h8-10H,2-7H2,1H3,(H,13,15).
What are the key properties of 6-cycloheptyloxy-N-methylpyrazin-2-amine?
6-cycloheptyloxy-N-methylpyrazin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cycloheptyloxy-N-methylpyrazin-2-amine is sourced from PubChem (CID 80871369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).