6-(3-cyclobutylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one

C14H15N3O2 — CID 106522452

IUPAC6-(3-cyclobutylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one
SMILESCOc1nc(-c2cccc(C3CCC3)c2)[nH]c(=O)n1
InChIInChI=1S/C14H15N3O2/c1-19-14-16-12(15-13(18)17-14)11-7-3-6-10(8-11)9-4-2-5-9/h3,6-9H,2,4-5H2,1H3,(H,15,16,17,18)
InChIKeyDALPRLKNFCOQFU-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.11
Rot. Bonds3

About 6-(3-cyclobutylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one

6-(3-cyclobutylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one (PubChem CID 106522452) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-(3-cyclobutylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(3-cyclobutylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one
PubChem CID106522452
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name6-(3-cyclobutylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one
SMILESCOc1nc(-c2cccc(C3CCC3)c2)[nH]c(=O)n1
InChIInChI=1S/C14H15N3O2/c1-19-14-16-12(15-13(18)17-14)11-7-3-6-10(8-11)9-4-2-5-9/h3,6-9H,2,4-5H2,1H3,(H,15,16,17,18)
InChIKeyDALPRLKNFCOQFU-UHFFFAOYSA-N
XLogP2.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-6-(3-methylphenyl)-1H-1,3,5-triazin-2-one
CID 106515333
4-cyclopentyl-2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one
CID 136730020
4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136770360
6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxy-1H-1,3,5-triazin-2-one
CID 106515179
4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136770354
6-(3-chloro-4-methylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one
CID 106520374
3-(3-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
CID 106522502
2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one
CID 79980623
6-cyclopentyl-2-methoxycyclohepta-2,4,6-trien-1-one
CID 146179008
4-methoxy-6-(1-methylpyrazol-4-yl)-1H-1,3,5-triazin-2-one
CID 106515838
6-cyclopropyl-8-methoxy-4-phenyl-1H-quinazolin-2-one
CID 162388491
carbonic acid;6-(3-cyclopentylphenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxypyrimidin-4-amine
CID 70375638

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclobutylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-(3-cyclobutylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one (CID 106522452) is 6-(3-cyclobutylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(3-cyclobutylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-(3-cyclobutylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one is COc1nc(-c2cccc(C3CCC3)c2)[nH]c(=O)n1.
What is the InChIKey of 6-(3-cyclobutylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one?
The InChIKey is DALPRLKNFCOQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-14-16-12(15-13(18)17-14)11-7-3-6-10(8-11)9-4-2-5-9/h3,6-9H,2,4-5H2,1H3,(H,15,16,17,18).
What are the key properties of 6-(3-cyclobutylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one?
6-(3-cyclobutylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one has a molecular weight of 257.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclobutylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 106522452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).