cyclohepten-1-yl-(5-methylpyrazin-2-yl)methanol

C13H18N2O — CID 106657819

IUPACcyclohepten-1-yl-(5-methylpyrazin-2-yl)methanol
SMILESCc1cnc(C(O)C2=CCCCCC2)cn1
InChIInChI=1S/C13H18N2O/c1-10-8-15-12(9-14-10)13(16)11-6-4-2-3-5-7-11/h6,8-9,13,16H,2-5,7H2,1H3
InChIKeyATXVYLAGRGPINI-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.71
Rot. Bonds2

About cyclohepten-1-yl-(5-methylpyrazin-2-yl)methanol

cyclohepten-1-yl-(5-methylpyrazin-2-yl)methanol (PubChem CID 106657819) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is cyclohepten-1-yl-(5-methylpyrazin-2-yl)methanol.

Molecular Properties

Compound Namecyclohepten-1-yl-(5-methylpyrazin-2-yl)methanol
PubChem CID106657819
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Namecyclohepten-1-yl-(5-methylpyrazin-2-yl)methanol
SMILESCc1cnc(C(O)C2=CCCCCC2)cn1
InChIInChI=1S/C13H18N2O/c1-10-8-15-12(9-14-10)13(16)11-6-4-2-3-5-7-11/h6,8-9,13,16H,2-5,7H2,1H3
InChIKeyATXVYLAGRGPINI-UHFFFAOYSA-N
XLogP2.71
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol
CID 106657827
3,4-dihydro-2H-pyran-5-yl-(5-methylpyrazin-2-yl)methanol
CID 105124479
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
cyclohexen-1-yl(quinoxalin-2-yl)methanol
CID 107357780
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
CID 106651010
cyclohexen-1-yl-(5-methyl-3-pyridinyl)methanol
CID 106657893
cycloocten-1-yl-(2,5-dimethylthiophen-3-yl)methanol
CID 106651068
cyclohepten-1-yl(1,3-thiazol-5-yl)methanol
CID 106651556
cyclohexen-1-ylmethanediol
CID 21392290
cyclohexen-1-yl-(6-methoxy-3-pyridinyl)methanol
CID 106651682
(4-methylphenyl)-(5-methylpyrazin-2-yl)methanol
CID 105078243
[(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol
CID 106657529

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(5-methylpyrazin-2-yl)methanol?
The IUPAC name of cyclohepten-1-yl-(5-methylpyrazin-2-yl)methanol (CID 106657819) is cyclohepten-1-yl-(5-methylpyrazin-2-yl)methanol.
What is the SMILES notation for cyclohepten-1-yl-(5-methylpyrazin-2-yl)methanol?
The canonical SMILES for cyclohepten-1-yl-(5-methylpyrazin-2-yl)methanol is Cc1cnc(C(O)C2=CCCCCC2)cn1.
What is the InChIKey of cyclohepten-1-yl-(5-methylpyrazin-2-yl)methanol?
The InChIKey is ATXVYLAGRGPINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-8-15-12(9-14-10)13(16)11-6-4-2-3-5-7-11/h6,8-9,13,16H,2-5,7H2,1H3.
What are the key properties of cyclohepten-1-yl-(5-methylpyrazin-2-yl)methanol?
cyclohepten-1-yl-(5-methylpyrazin-2-yl)methanol has a molecular weight of 218.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(5-methylpyrazin-2-yl)methanol is sourced from PubChem (CID 106657819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).