(4-methylcyclohexyl)-pyrazin-2-ylmethanone

C12H16N2O — CID 63969012

IUPAC(4-methylcyclohexyl)-pyrazin-2-ylmethanone
SMILESCC1CCC(C(=O)c2cnccn2)CC1
InChIInChI=1S/C12H16N2O/c1-9-2-4-10(5-3-9)12(15)11-8-13-6-7-14-11/h6-10H,2-5H2,1H3
InChIKeyMIOPIPFCXWBDPY-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.49
Rot. Bonds2

About (4-methylcyclohexyl)-pyrazin-2-ylmethanone

(4-methylcyclohexyl)-pyrazin-2-ylmethanone (PubChem CID 63969012) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (4-methylcyclohexyl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(4-methylcyclohexyl)-pyrazin-2-ylmethanone
PubChem CID63969012
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(4-methylcyclohexyl)-pyrazin-2-ylmethanone
SMILESCC1CCC(C(=O)c2cnccn2)CC1
InChIInChI=1S/C12H16N2O/c1-9-2-4-10(5-3-9)12(15)11-8-13-6-7-14-11/h6-10H,2-5H2,1H3
InChIKeyMIOPIPFCXWBDPY-UHFFFAOYSA-N
XLogP2.49
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-dimethylcyclohexyl)-pyrazin-2-ylmethanone
CID 65390403
pyrazin-2-yl(thiolan-3-yl)methanone
CID 105101277
pyrazin-2-yl(pyrrolidin-3-yl)methanone
CID 116568351
(4-methylcyclohexyl)-(4-methyl-2-pyridinyl)methanone
CID 64774798
(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-pyrazin-2-ylmethanone
CID 171937495
(5-amino-2-pyridinyl)-(4-methylcyclohexyl)methanone
CID 116605314
pyrazin-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 114973069
(3-methylpiperidin-4-yl)-pyrazin-2-ylmethanone
CID 130516301
cyclopropyl-(5-methylpyrazin-2-yl)methanone
CID 118508128
N'-(cyclopropanecarbonyl)pyrazine-2-carbohydrazide
CID 34260535
3-(pyrazine-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032324
(4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 816652

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-pyrazin-2-ylmethanone?
The IUPAC name of (4-methylcyclohexyl)-pyrazin-2-ylmethanone (CID 63969012) is (4-methylcyclohexyl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (4-methylcyclohexyl)-pyrazin-2-ylmethanone?
The canonical SMILES for (4-methylcyclohexyl)-pyrazin-2-ylmethanone is CC1CCC(C(=O)c2cnccn2)CC1.
What is the InChIKey of (4-methylcyclohexyl)-pyrazin-2-ylmethanone?
The InChIKey is MIOPIPFCXWBDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-2-4-10(5-3-9)12(15)11-8-13-6-7-14-11/h6-10H,2-5H2,1H3.
What are the key properties of (4-methylcyclohexyl)-pyrazin-2-ylmethanone?
(4-methylcyclohexyl)-pyrazin-2-ylmethanone has a molecular weight of 204.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 63969012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).