1-(3-methoxypyrazin-2-yl)-4-propan-2-ylcycloheptan-1-ol

C15H24N2O2 — CID 104514624

IUPAC1-(3-methoxypyrazin-2-yl)-4-propan-2-ylcycloheptan-1-ol
SMILESCOc1nccnc1C1(O)CCCC(C(C)C)CC1
InChIInChI=1S/C15H24N2O2/c1-11(2)12-5-4-7-15(18,8-6-12)13-14(19-3)17-10-9-16-13/h9-12,18H,4-8H2,1-3H3
InChIKeySMFRCXXDMKCCKW-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.91
Rot. Bonds3

About 1-(3-methoxypyrazin-2-yl)-4-propan-2-ylcycloheptan-1-ol

1-(3-methoxypyrazin-2-yl)-4-propan-2-ylcycloheptan-1-ol (PubChem CID 104514624) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-4-propan-2-ylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-4-propan-2-ylcycloheptan-1-ol
PubChem CID104514624
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(3-methoxypyrazin-2-yl)-4-propan-2-ylcycloheptan-1-ol
SMILESCOc1nccnc1C1(O)CCCC(C(C)C)CC1
InChIInChI=1S/C15H24N2O2/c1-11(2)12-5-4-7-15(18,8-6-12)13-14(19-3)17-10-9-16-13/h9-12,18H,4-8H2,1-3H3
InChIKeySMFRCXXDMKCCKW-UHFFFAOYSA-N
XLogP2.91
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.91
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)-4-propan-2-ylcycloheptan-1-ol?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-4-propan-2-ylcycloheptan-1-ol (CID 104514624) is 1-(3-methoxypyrazin-2-yl)-4-propan-2-ylcycloheptan-1-ol.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-4-propan-2-ylcycloheptan-1-ol?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-4-propan-2-ylcycloheptan-1-ol is COc1nccnc1C1(O)CCCC(C(C)C)CC1.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-4-propan-2-ylcycloheptan-1-ol?
The InChIKey is SMFRCXXDMKCCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)12-5-4-7-15(18,8-6-12)13-14(19-3)17-10-9-16-13/h9-12,18H,4-8H2,1-3H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-4-propan-2-ylcycloheptan-1-ol?
1-(3-methoxypyrazin-2-yl)-4-propan-2-ylcycloheptan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 2.91, 3 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)-4-propan-2-ylcycloheptan-1-ol is sourced from PubChem (CID 104514624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).