5-(3-phenylpropoxymethyl)pyrazin-2-amine

C14H17N3O — CID 103058940

IUPAC5-(3-phenylpropoxymethyl)pyrazin-2-amine
SMILESNc1cnc(COCCCc2ccccc2)cn1
InChIInChI=1S/C14H17N3O/c15-14-10-16-13(9-17-14)11-18-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2,(H2,15,17)
InChIKeyIQSOJWRWXMEQTC-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.21
Rot. Bonds6

About 5-(3-phenylpropoxymethyl)pyrazin-2-amine

5-(3-phenylpropoxymethyl)pyrazin-2-amine (PubChem CID 103058940) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-(3-phenylpropoxymethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(3-phenylpropoxymethyl)pyrazin-2-amine
PubChem CID103058940
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-(3-phenylpropoxymethyl)pyrazin-2-amine
SMILESNc1cnc(COCCCc2ccccc2)cn1
InChIInChI=1S/C14H17N3O/c15-14-10-16-13(9-17-14)11-18-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2,(H2,15,17)
InChIKeyIQSOJWRWXMEQTC-UHFFFAOYSA-N
XLogP2.21
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methoxypropoxymethyl)pyrazin-2-amine
CID 103057859
[6-(3-phenylpropoxymethyl)-2-pyridinyl]methanamine
CID 106908261
5-(propoxymethyl)pyrazin-2-amine
CID 103058721
5-(3-phenylpropoxymethyl)-1,3-thiazol-2-amine
CID 79774216
5-[2-(2-methoxyethoxy)ethoxymethyl]pyrazin-2-amine
CID 103059455
(2R)-1-(3-phenylpropoxy)propan-2-amine
CID 15118942
4-(4-phenylbutoxymethyl)aniline
CID 114332885
2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138496429
1-iodo-4-(3-phenylmethoxypropyl)benzene
CID 10937065
2-bromo-5-(3-phenylpropoxymethyl)aniline
CID 115557539
3-(3-phenylpropoxy)propane-1,2-diol
CID 66597635
[5-(phenylmethoxymethyl)pyrazin-2-yl]hydrazine
CID 103061763

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpropoxymethyl)pyrazin-2-amine?
The IUPAC name of 5-(3-phenylpropoxymethyl)pyrazin-2-amine (CID 103058940) is 5-(3-phenylpropoxymethyl)pyrazin-2-amine.
What is the SMILES notation for 5-(3-phenylpropoxymethyl)pyrazin-2-amine?
The canonical SMILES for 5-(3-phenylpropoxymethyl)pyrazin-2-amine is Nc1cnc(COCCCc2ccccc2)cn1.
What is the InChIKey of 5-(3-phenylpropoxymethyl)pyrazin-2-amine?
The InChIKey is IQSOJWRWXMEQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-14-10-16-13(9-17-14)11-18-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2,(H2,15,17).
What are the key properties of 5-(3-phenylpropoxymethyl)pyrazin-2-amine?
5-(3-phenylpropoxymethyl)pyrazin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpropoxymethyl)pyrazin-2-amine is sourced from PubChem (CID 103058940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).