N-[(4-aminophenyl)methyl]-N-propylpyrazin-2-amine

C14H18N4 — CID 60877045

IUPACN-[(4-aminophenyl)methyl]-N-propylpyrazin-2-amine
SMILESCCCN(Cc1ccc(N)cc1)c1cnccn1
InChIInChI=1S/C14H18N4/c1-2-9-18(14-10-16-7-8-17-14)11-12-3-5-13(15)6-4-12/h3-8,10H,2,9,11,15H2,1H3
InChIKeyHPNQQWJKEYSVIB-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.48
Rot. Bonds5

About N-[(4-aminophenyl)methyl]-N-propylpyrazin-2-amine

N-[(4-aminophenyl)methyl]-N-propylpyrazin-2-amine (PubChem CID 60877045) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-propylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-propylpyrazin-2-amine
PubChem CID60877045
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[(4-aminophenyl)methyl]-N-propylpyrazin-2-amine
SMILESCCCN(Cc1ccc(N)cc1)c1cnccn1
InChIInChI=1S/C14H18N4/c1-2-9-18(14-10-16-7-8-17-14)11-12-3-5-13(15)6-4-12/h3-8,10H,2,9,11,15H2,1H3
InChIKeyHPNQQWJKEYSVIB-UHFFFAOYSA-N
XLogP2.48
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-propylpyrazin-2-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-propylpyrazin-2-amine (CID 60877045) is N-[(4-aminophenyl)methyl]-N-propylpyrazin-2-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-propylpyrazin-2-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-propylpyrazin-2-amine is CCCN(Cc1ccc(N)cc1)c1cnccn1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-propylpyrazin-2-amine?
The InChIKey is HPNQQWJKEYSVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-9-18(14-10-16-7-8-17-14)11-12-3-5-13(15)6-4-12/h3-8,10H,2,9,11,15H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-propylpyrazin-2-amine?
N-[(4-aminophenyl)methyl]-N-propylpyrazin-2-amine has a molecular weight of 242.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-propylpyrazin-2-amine is sourced from PubChem (CID 60877045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).