6-(4-cyclopropyloxyphenyl)-N-propylpyrazin-2-amine

C16H19N3O — CID 114520336

IUPAC6-(4-cyclopropyloxyphenyl)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(-c2ccc(OC3CC3)cc2)n1
InChIInChI=1S/C16H19N3O/c1-2-9-18-16-11-17-10-15(19-16)12-3-5-13(6-4-12)20-14-7-8-14/h3-6,10-11,14H,2,7-9H2,1H3,(H,18,19)
InChIKeyNDEHWACYORVWOY-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.51
Rot. Bonds6

About 6-(4-cyclopropyloxyphenyl)-N-propylpyrazin-2-amine

6-(4-cyclopropyloxyphenyl)-N-propylpyrazin-2-amine (PubChem CID 114520336) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-(4-cyclopropyloxyphenyl)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name6-(4-cyclopropyloxyphenyl)-N-propylpyrazin-2-amine
PubChem CID114520336
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name6-(4-cyclopropyloxyphenyl)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(-c2ccc(OC3CC3)cc2)n1
InChIInChI=1S/C16H19N3O/c1-2-9-18-16-11-17-10-15(19-16)12-3-5-13(6-4-12)20-14-7-8-14/h3-6,10-11,14H,2,7-9H2,1H3,(H,18,19)
InChIKeyNDEHWACYORVWOY-UHFFFAOYSA-N
XLogP3.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropyloxyphenyl)-N-propylpyrazin-2-amine?
The IUPAC name of 6-(4-cyclopropyloxyphenyl)-N-propylpyrazin-2-amine (CID 114520336) is 6-(4-cyclopropyloxyphenyl)-N-propylpyrazin-2-amine.
What is the SMILES notation for 6-(4-cyclopropyloxyphenyl)-N-propylpyrazin-2-amine?
The canonical SMILES for 6-(4-cyclopropyloxyphenyl)-N-propylpyrazin-2-amine is CCCNc1cncc(-c2ccc(OC3CC3)cc2)n1.
What is the InChIKey of 6-(4-cyclopropyloxyphenyl)-N-propylpyrazin-2-amine?
The InChIKey is NDEHWACYORVWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-9-18-16-11-17-10-15(19-16)12-3-5-13(6-4-12)20-14-7-8-14/h3-6,10-11,14H,2,7-9H2,1H3,(H,18,19).
What are the key properties of 6-(4-cyclopropyloxyphenyl)-N-propylpyrazin-2-amine?
6-(4-cyclopropyloxyphenyl)-N-propylpyrazin-2-amine has a molecular weight of 269.35 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropyloxyphenyl)-N-propylpyrazin-2-amine is sourced from PubChem (CID 114520336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).