3-(3,4-dimethylcyclohexyl)oxypyrazin-2-amine

C12H19N3O — CID 102988254

IUPAC3-(3,4-dimethylcyclohexyl)oxypyrazin-2-amine
SMILESCC1CCC(Oc2nccnc2N)CC1C
InChIInChI=1S/C12H19N3O/c1-8-3-4-10(7-9(8)2)16-12-11(13)14-5-6-15-12/h5-6,8-10H,3-4,7H2,1-2H3,(H2,13,14)
InChIKeyYAJCMXNRJIDCDZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.26
Rot. Bonds2

About 3-(3,4-dimethylcyclohexyl)oxypyrazin-2-amine

3-(3,4-dimethylcyclohexyl)oxypyrazin-2-amine (PubChem CID 102988254) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(3,4-dimethylcyclohexyl)oxypyrazin-2-amine.

Molecular Properties

Compound Name3-(3,4-dimethylcyclohexyl)oxypyrazin-2-amine
PubChem CID102988254
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(3,4-dimethylcyclohexyl)oxypyrazin-2-amine
SMILESCC1CCC(Oc2nccnc2N)CC1C
InChIInChI=1S/C12H19N3O/c1-8-3-4-10(7-9(8)2)16-12-11(13)14-5-6-15-12/h5-6,8-10H,3-4,7H2,1-2H3,(H2,13,14)
InChIKeyYAJCMXNRJIDCDZ-UHFFFAOYSA-N
XLogP2.26
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylcyclohexyl)oxypyrazin-2-amine?
The IUPAC name of 3-(3,4-dimethylcyclohexyl)oxypyrazin-2-amine (CID 102988254) is 3-(3,4-dimethylcyclohexyl)oxypyrazin-2-amine.
What is the SMILES notation for 3-(3,4-dimethylcyclohexyl)oxypyrazin-2-amine?
The canonical SMILES for 3-(3,4-dimethylcyclohexyl)oxypyrazin-2-amine is CC1CCC(Oc2nccnc2N)CC1C.
What is the InChIKey of 3-(3,4-dimethylcyclohexyl)oxypyrazin-2-amine?
The InChIKey is YAJCMXNRJIDCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-3-4-10(7-9(8)2)16-12-11(13)14-5-6-15-12/h5-6,8-10H,3-4,7H2,1-2H3,(H2,13,14).
What are the key properties of 3-(3,4-dimethylcyclohexyl)oxypyrazin-2-amine?
3-(3,4-dimethylcyclohexyl)oxypyrazin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylcyclohexyl)oxypyrazin-2-amine is sourced from PubChem (CID 102988254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).