1-(3-methoxypyrazin-2-yl)-3,3,5-trimethylcyclohexan-1-ol

C14H22N2O2 — CID 104514425

IUPAC1-(3-methoxypyrazin-2-yl)-3,3,5-trimethylcyclohexan-1-ol
SMILESCOc1nccnc1C1(O)CC(C)CC(C)(C)C1
InChIInChI=1S/C14H22N2O2/c1-10-7-13(2,3)9-14(17,8-10)11-12(18-4)16-6-5-15-11/h5-6,10,17H,7-9H2,1-4H3
InChIKeyHHHUFWRRAJTCGO-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.52
Rot. Bonds2

About 1-(3-methoxypyrazin-2-yl)-3,3,5-trimethylcyclohexan-1-ol

1-(3-methoxypyrazin-2-yl)-3,3,5-trimethylcyclohexan-1-ol (PubChem CID 104514425) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-3,3,5-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-3,3,5-trimethylcyclohexan-1-ol
PubChem CID104514425
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(3-methoxypyrazin-2-yl)-3,3,5-trimethylcyclohexan-1-ol
SMILESCOc1nccnc1C1(O)CC(C)CC(C)(C)C1
InChIInChI=1S/C14H22N2O2/c1-10-7-13(2,3)9-14(17,8-10)11-12(18-4)16-6-5-15-11/h5-6,10,17H,7-9H2,1-4H3
InChIKeyHHHUFWRRAJTCGO-UHFFFAOYSA-N
XLogP2.52
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-3,3,5-trimethylcyclohexan-1-ol?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-3,3,5-trimethylcyclohexan-1-ol (CID 104514425) is 1-(3-methoxypyrazin-2-yl)-3,3,5-trimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-3,3,5-trimethylcyclohexan-1-ol?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-3,3,5-trimethylcyclohexan-1-ol is COc1nccnc1C1(O)CC(C)CC(C)(C)C1.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-3,3,5-trimethylcyclohexan-1-ol?
The InChIKey is HHHUFWRRAJTCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-7-13(2,3)9-14(17,8-10)11-12(18-4)16-6-5-15-11/h5-6,10,17H,7-9H2,1-4H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-3,3,5-trimethylcyclohexan-1-ol?
1-(3-methoxypyrazin-2-yl)-3,3,5-trimethylcyclohexan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-3,3,5-trimethylcyclohexan-1-ol is sourced from PubChem (CID 104514425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).