[3-(4-propylphenyl)pyrazin-2-yl]methanamine

C14H17N3 — CID 82473726

IUPAC[3-(4-propylphenyl)pyrazin-2-yl]methanamine
SMILESCCCc1ccc(-c2nccnc2CN)cc1
InChIInChI=1S/C14H17N3/c1-2-3-11-4-6-12(7-5-11)14-13(10-15)16-8-9-17-14/h4-9H,2-3,10,15H2,1H3
InChIKeyJXLJDOZKHKBLHQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.55
Rot. Bonds4

About [3-(4-propylphenyl)pyrazin-2-yl]methanamine

[3-(4-propylphenyl)pyrazin-2-yl]methanamine (PubChem CID 82473726) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is [3-(4-propylphenyl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(4-propylphenyl)pyrazin-2-yl]methanamine
PubChem CID82473726
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name[3-(4-propylphenyl)pyrazin-2-yl]methanamine
SMILESCCCc1ccc(-c2nccnc2CN)cc1
InChIInChI=1S/C14H17N3/c1-2-3-11-4-6-12(7-5-11)14-13(10-15)16-8-9-17-14/h4-9H,2-3,10,15H2,1H3
InChIKeyJXLJDOZKHKBLHQ-UHFFFAOYSA-N
XLogP2.55
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine
CID 82478088
3-(4-propylphenyl)-1H-pyrazine-2-thione
CID 106517221
[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine
CID 82474052
2-[3-(4-ethylphenyl)pyrazin-2-yl]acetic acid
CID 82477699
5-methyl-6-(4-propylphenyl)pyridin-3-amine
CID 114049639
[5-(4-propylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 82360100
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
[4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride
CID 173038267
5-methyl-4-(4-propylphenyl)-1,3-oxazol-2-amine
CID 116831794
ethane;2-(4-propylphenyl)pyridine
CID 158701503
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-4-propylbenzamide
CID 122162929

Frequently Asked Questions

What is the IUPAC name of [3-(4-propylphenyl)pyrazin-2-yl]methanamine?
The IUPAC name of [3-(4-propylphenyl)pyrazin-2-yl]methanamine (CID 82473726) is [3-(4-propylphenyl)pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-(4-propylphenyl)pyrazin-2-yl]methanamine?
The canonical SMILES for [3-(4-propylphenyl)pyrazin-2-yl]methanamine is CCCc1ccc(-c2nccnc2CN)cc1.
What is the InChIKey of [3-(4-propylphenyl)pyrazin-2-yl]methanamine?
The InChIKey is JXLJDOZKHKBLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-3-11-4-6-12(7-5-11)14-13(10-15)16-8-9-17-14/h4-9H,2-3,10,15H2,1H3.
What are the key properties of [3-(4-propylphenyl)pyrazin-2-yl]methanamine?
[3-(4-propylphenyl)pyrazin-2-yl]methanamine has a molecular weight of 227.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-propylphenyl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 82473726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).