2-(4-azidobutoxy)-3-decylpyrazine

C18H31N5O — CID 10616667

IUPAC2-(4-azidobutoxy)-3-decylpyrazine
SMILESCCCCCCCCCCc1nccnc1OCCCCN=[N+]=[N-]
InChIInChI=1S/C18H31N5O/c1-2-3-4-5-6-7-8-9-12-17-18(21-15-14-20-17)24-16-11-10-13-22-23-19/h14-15H,2-13,16H2,1H3
InChIKeyQCEUNFMGZJNFIU-UHFFFAOYSA-N
MW333.48 g/mol
LogP5.63
Rot. Bonds15

About 2-(4-azidobutoxy)-3-decylpyrazine

2-(4-azidobutoxy)-3-decylpyrazine (PubChem CID 10616667) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-(4-azidobutoxy)-3-decylpyrazine.

Molecular Properties

Compound Name2-(4-azidobutoxy)-3-decylpyrazine
PubChem CID10616667
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name2-(4-azidobutoxy)-3-decylpyrazine
SMILESCCCCCCCCCCc1nccnc1OCCCCN=[N+]=[N-]
InChIInChI=1S/C18H31N5O/c1-2-3-4-5-6-7-8-9-12-17-18(21-15-14-20-17)24-16-11-10-13-22-23-19/h14-15H,2-13,16H2,1H3
InChIKeyQCEUNFMGZJNFIU-UHFFFAOYSA-N
XLogP5.63
TPSA83.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-decyl-3-methoxypyrazine
CID 528301
1-azidotriacontane
CID 71752669
1-azidohexadecane
CID 11230945
(3-pentoxypyrazin-2-yl)methanamine
CID 62672198
1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane
CID 171471401
1-azidooctane;hydrochloride
CID 175871639
1-(2-azidoethyl)-4-hexylbenzene
CID 142738236
2-(4-tert-butylphenoxy)-3-nonylpyrazine
CID 20979308
2-nonyl-3-(4-phenylphenoxy)pyrazine
CID 20979288
1-azidobutane
CID 4563922
15-azidopentadecanoyl hexadecanoate
CID 123227762
1-[2-(8-azidooctyl)-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)-2-octylbenzene
CID 121461293

Frequently Asked Questions

What is the IUPAC name of 2-(4-azidobutoxy)-3-decylpyrazine?
The IUPAC name of 2-(4-azidobutoxy)-3-decylpyrazine (CID 10616667) is 2-(4-azidobutoxy)-3-decylpyrazine.
What is the SMILES notation for 2-(4-azidobutoxy)-3-decylpyrazine?
The canonical SMILES for 2-(4-azidobutoxy)-3-decylpyrazine is CCCCCCCCCCc1nccnc1OCCCCN=[N+]=[N-].
What is the InChIKey of 2-(4-azidobutoxy)-3-decylpyrazine?
The InChIKey is QCEUNFMGZJNFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-2-3-4-5-6-7-8-9-12-17-18(21-15-14-20-17)24-16-11-10-13-22-23-19/h14-15H,2-13,16H2,1H3.
What are the key properties of 2-(4-azidobutoxy)-3-decylpyrazine?
2-(4-azidobutoxy)-3-decylpyrazine has a molecular weight of 333.48 g/mol, XLogP of 5.63, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-azidobutoxy)-3-decylpyrazine is sourced from PubChem (CID 10616667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).