6-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine

C12H19ClN4 — CID 47137580

IUPAC6-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine
SMILESCC(C)N1CCC(Nc2cncc(Cl)n2)CC1
InChIInChI=1S/C12H19ClN4/c1-9(2)17-5-3-10(4-6-17)15-12-8-14-7-11(13)16-12/h7-10H,3-6H2,1-2H3,(H,15,16)
InChIKeyZEWBJRZMXFXHLB-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.41
Rot. Bonds3

About 6-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine

6-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine (PubChem CID 47137580) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 6-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine
PubChem CID47137580
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name6-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine
SMILESCC(C)N1CCC(Nc2cncc(Cl)n2)CC1
InChIInChI=1S/C12H19ClN4/c1-9(2)17-5-3-10(4-6-17)15-12-8-14-7-11(13)16-12/h7-10H,3-6H2,1-2H3,(H,15,16)
InChIKeyZEWBJRZMXFXHLB-UHFFFAOYSA-N
XLogP2.41
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine?
The IUPAC name of 6-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine (CID 47137580) is 6-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine is CC(C)N1CCC(Nc2cncc(Cl)n2)CC1.
What is the InChIKey of 6-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine?
The InChIKey is ZEWBJRZMXFXHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-9(2)17-5-3-10(4-6-17)15-12-8-14-7-11(13)16-12/h7-10H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 6-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine?
6-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine has a molecular weight of 254.76 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine is sourced from PubChem (CID 47137580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).