4-[5-(dodecylamino)pyrazin-2-yl]phenol

C22H33N3O — CID 135525100

IUPAC4-[5-(dodecylamino)pyrazin-2-yl]phenol
SMILESCCCCCCCCCCCCNc1cnc(-c2ccc(O)cc2)cn1
InChIInChI=1S/C22H33N3O/c1-2-3-4-5-6-7-8-9-10-11-16-23-22-18-24-21(17-25-22)19-12-14-20(26)15-13-19/h12-15,17-18,26H,2-11,16H2,1H3,(H,23,25)
InChIKeyPXWFRVKQTSYPFH-UHFFFAOYSA-N
MW355.53 g/mol
LogP6.18
Rot. Bonds13

About 4-[5-(dodecylamino)pyrazin-2-yl]phenol

4-[5-(dodecylamino)pyrazin-2-yl]phenol (PubChem CID 135525100) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 4-[5-(dodecylamino)pyrazin-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(dodecylamino)pyrazin-2-yl]phenol
PubChem CID135525100
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name4-[5-(dodecylamino)pyrazin-2-yl]phenol
SMILESCCCCCCCCCCCCNc1cnc(-c2ccc(O)cc2)cn1
InChIInChI=1S/C22H33N3O/c1-2-3-4-5-6-7-8-9-10-11-16-23-22-18-24-21(17-25-22)19-12-14-20(26)15-13-19/h12-15,17-18,26H,2-11,16H2,1H3,(H,23,25)
InChIKeyPXWFRVKQTSYPFH-UHFFFAOYSA-N
XLogP6.18
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.53
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[5-(dodecylamino)pyrazin-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(dihexylamino)pyrazin-2-yl]phenol
CID 135465637
2-N-hexylpyrazine-2,5-diamine
CID 80652876
2-N-octylpyrazine-2,5-diamine
CID 115565252
4-(5-nonyl-2-pyridinyl)phenol
CID 135627063
2-N-hexylpyridine-2,5-diamine
CID 21487111
2,5-bis(4-hexoxyphenyl)pyrazine
CID 86183417
6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604
4-[5-(dihexylamino)-6-(4-hydroxyphenyl)pyrazin-2-yl]phenol
CID 135516530
6-(hexylamino)pyridine-3-carboxamide
CID 112722796
4-N,6-N-dihexylpyrimidine-4,6-diamine
CID 2747970
heptane;4-[2-(methylamino)-4-pyridinyl]phenol
CID 144684064
4-[4-(6-heptyl-3-pyridinyl)phenyl]phenol
CID 18795249

Frequently Asked Questions

What is the IUPAC name of 4-[5-(dodecylamino)pyrazin-2-yl]phenol?
The IUPAC name of 4-[5-(dodecylamino)pyrazin-2-yl]phenol (CID 135525100) is 4-[5-(dodecylamino)pyrazin-2-yl]phenol.
What is the SMILES notation for 4-[5-(dodecylamino)pyrazin-2-yl]phenol?
The canonical SMILES for 4-[5-(dodecylamino)pyrazin-2-yl]phenol is CCCCCCCCCCCCNc1cnc(-c2ccc(O)cc2)cn1.
What is the InChIKey of 4-[5-(dodecylamino)pyrazin-2-yl]phenol?
The InChIKey is PXWFRVKQTSYPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c1-2-3-4-5-6-7-8-9-10-11-16-23-22-18-24-21(17-25-22)19-12-14-20(26)15-13-19/h12-15,17-18,26H,2-11,16H2,1H3,(H,23,25).
What are the key properties of 4-[5-(dodecylamino)pyrazin-2-yl]phenol?
4-[5-(dodecylamino)pyrazin-2-yl]phenol has a molecular weight of 355.53 g/mol, XLogP of 6.18, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(dodecylamino)pyrazin-2-yl]phenol is sourced from PubChem (CID 135525100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).