ethane;3-[4-(4-methoxyphenyl)butyl]-4H-triazine

C16H25N3O — CID 142108516

IUPACethane;3-[4-(4-methoxyphenyl)butyl]-4H-triazine
SMILESCC.COc1ccc(CCCCN2CC=CN=N2)cc1
InChIInChI=1S/C14H19N3O.C2H6/c1-18-14-8-6-13(7-9-14)5-2-3-11-17-12-4-10-15-16-17;1-2/h4,6-10H,2-3,5,11-12H2,1H3;1-2H3
InChIKeyOVJWXTSMRQFAIO-UHFFFAOYSA-N
MW275.40 g/mol
LogP4.24
Rot. Bonds6

About ethane;3-[4-(4-methoxyphenyl)butyl]-4H-triazine

ethane;3-[4-(4-methoxyphenyl)butyl]-4H-triazine (PubChem CID 142108516) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is ethane;3-[4-(4-methoxyphenyl)butyl]-4H-triazine.

Molecular Properties

Compound Nameethane;3-[4-(4-methoxyphenyl)butyl]-4H-triazine
PubChem CID142108516
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Nameethane;3-[4-(4-methoxyphenyl)butyl]-4H-triazine
SMILESCC.COc1ccc(CCCCN2CC=CN=N2)cc1
InChIInChI=1S/C14H19N3O.C2H6/c1-18-14-8-6-13(7-9-14)5-2-3-11-17-12-4-10-15-16-17;1-2/h4,6-10H,2-3,5,11-12H2,1H3;1-2H3
InChIKeyOVJWXTSMRQFAIO-UHFFFAOYSA-N
XLogP4.24
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(4-methoxyphenyl)hexyl]piperidine
CID 129295861
ethane;1-methoxy-4-(4-methoxybutyl)benzene
CID 143283222
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
2-[4-(4-methoxyphenyl)butyl]tetrazole
CID 142575856
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
10-(4-methoxyphenyl)decan-1-amine
CID 70566558
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047
6-(4-methoxyphenyl)hexane-1-thiol
CID 10799192
5-(4-methoxyphenyl)pentanamide
CID 134389506

Frequently Asked Questions

What is the IUPAC name of ethane;3-[4-(4-methoxyphenyl)butyl]-4H-triazine?
The IUPAC name of ethane;3-[4-(4-methoxyphenyl)butyl]-4H-triazine (CID 142108516) is ethane;3-[4-(4-methoxyphenyl)butyl]-4H-triazine.
What is the SMILES notation for ethane;3-[4-(4-methoxyphenyl)butyl]-4H-triazine?
The canonical SMILES for ethane;3-[4-(4-methoxyphenyl)butyl]-4H-triazine is CC.COc1ccc(CCCCN2CC=CN=N2)cc1.
What is the InChIKey of ethane;3-[4-(4-methoxyphenyl)butyl]-4H-triazine?
The InChIKey is OVJWXTSMRQFAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O.C2H6/c1-18-14-8-6-13(7-9-14)5-2-3-11-17-12-4-10-15-16-17;1-2/h4,6-10H,2-3,5,11-12H2,1H3;1-2H3.
What are the key properties of ethane;3-[4-(4-methoxyphenyl)butyl]-4H-triazine?
ethane;3-[4-(4-methoxyphenyl)butyl]-4H-triazine has a molecular weight of 275.40 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[4-(4-methoxyphenyl)butyl]-4H-triazine is sourced from PubChem (CID 142108516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).