1-(5-methylpyrazin-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone

C17H18N2O — CID 105082761

IUPAC1-(5-methylpyrazin-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
SMILESCc1cnc(C(=O)CC2CCCc3ccccc32)cn1
InChIInChI=1S/C17H18N2O/c1-12-10-19-16(11-18-12)17(20)9-14-7-4-6-13-5-2-3-8-15(13)14/h2-3,5,8,10-11,14H,4,6-7,9H2,1H3
InChIKeyUEOBDOLTXPLZJQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.48
Rot. Bonds3

About 1-(5-methylpyrazin-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone

1-(5-methylpyrazin-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone (PubChem CID 105082761) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(5-methylpyrazin-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-methylpyrazin-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
PubChem CID105082761
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-(5-methylpyrazin-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
SMILESCc1cnc(C(=O)CC2CCCc3ccccc32)cn1
InChIInChI=1S/C17H18N2O/c1-12-10-19-16(11-18-12)17(20)9-14-7-4-6-13-5-2-3-8-15(13)14/h2-3,5,8,10-11,14H,4,6-7,9H2,1H3
InChIKeyUEOBDOLTXPLZJQ-UHFFFAOYSA-N
XLogP3.48
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 42888995
1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63772473
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiophen-3-ylethanone
CID 55243638
1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95616896
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid
CID 65172704
1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116558983
3-methoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 79197981
3-methyl-3-methylsulfonyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 114964179
1-(4,5-dibromothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 114964210
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
N-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119515915

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrazin-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone?
The IUPAC name of 1-(5-methylpyrazin-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone (CID 105082761) is 1-(5-methylpyrazin-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone.
What is the SMILES notation for 1-(5-methylpyrazin-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone?
The canonical SMILES for 1-(5-methylpyrazin-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone is Cc1cnc(C(=O)CC2CCCc3ccccc32)cn1.
What is the InChIKey of 1-(5-methylpyrazin-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone?
The InChIKey is UEOBDOLTXPLZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-10-19-16(11-18-12)17(20)9-14-7-4-6-13-5-2-3-8-15(13)14/h2-3,5,8,10-11,14H,4,6-7,9H2,1H3.
What are the key properties of 1-(5-methylpyrazin-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone?
1-(5-methylpyrazin-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone has a molecular weight of 266.34 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrazin-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone is sourced from PubChem (CID 105082761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).