4-[(3-methoxypyrazin-2-yl)methylamino]cyclohexan-1-ol

C12H19N3O2 — CID 71648392

IUPAC4-[(3-methoxypyrazin-2-yl)methylamino]cyclohexan-1-ol
SMILESCOc1nccnc1CNC1CCC(O)CC1
InChIInChI=1S/C12H19N3O2/c1-17-12-11(13-6-7-14-12)8-15-9-2-4-10(16)5-3-9/h6-7,9-10,15-16H,2-5,8H2,1H3
InChIKeyZKWYODDQXTVBIU-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.88
Rot. Bonds4

About 4-[(3-methoxypyrazin-2-yl)methylamino]cyclohexan-1-ol

4-[(3-methoxypyrazin-2-yl)methylamino]cyclohexan-1-ol (PubChem CID 71648392) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(3-methoxypyrazin-2-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-methoxypyrazin-2-yl)methylamino]cyclohexan-1-ol
PubChem CID71648392
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[(3-methoxypyrazin-2-yl)methylamino]cyclohexan-1-ol
SMILESCOc1nccnc1CNC1CCC(O)CC1
InChIInChI=1S/C12H19N3O2/c1-17-12-11(13-6-7-14-12)8-15-9-2-4-10(16)5-3-9/h6-7,9-10,15-16H,2-5,8H2,1H3
InChIKeyZKWYODDQXTVBIU-UHFFFAOYSA-N
XLogP0.88
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxypyrazin-2-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(3-methoxypyrazin-2-yl)methylamino]cyclohexan-1-ol (CID 71648392) is 4-[(3-methoxypyrazin-2-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-methoxypyrazin-2-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-methoxypyrazin-2-yl)methylamino]cyclohexan-1-ol is COc1nccnc1CNC1CCC(O)CC1.
What is the InChIKey of 4-[(3-methoxypyrazin-2-yl)methylamino]cyclohexan-1-ol?
The InChIKey is ZKWYODDQXTVBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-17-12-11(13-6-7-14-12)8-15-9-2-4-10(16)5-3-9/h6-7,9-10,15-16H,2-5,8H2,1H3.
What are the key properties of 4-[(3-methoxypyrazin-2-yl)methylamino]cyclohexan-1-ol?
4-[(3-methoxypyrazin-2-yl)methylamino]cyclohexan-1-ol has a molecular weight of 237.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxypyrazin-2-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 71648392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).