3-(1-propan-2-ylpiperidin-4-yl)-N-pyrazin-2-ylpyrazin-2-amine

C16H22N6 — CID 95821886

IUPAC3-(1-propan-2-ylpiperidin-4-yl)-N-pyrazin-2-ylpyrazin-2-amine
SMILESCC(C)N1CCC(c2nccnc2Nc2cnccn2)CC1
InChIInChI=1S/C16H22N6/c1-12(2)22-9-3-13(4-10-22)15-16(20-8-7-19-15)21-14-11-17-5-6-18-14/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,18,20,21)
InChIKeyUZRFJXBNHGAEKF-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.60
Rot. Bonds4

About 3-(1-propan-2-ylpiperidin-4-yl)-N-pyrazin-2-ylpyrazin-2-amine

3-(1-propan-2-ylpiperidin-4-yl)-N-pyrazin-2-ylpyrazin-2-amine (PubChem CID 95821886) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(1-propan-2-ylpiperidin-4-yl)-N-pyrazin-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-(1-propan-2-ylpiperidin-4-yl)-N-pyrazin-2-ylpyrazin-2-amine
PubChem CID95821886
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name3-(1-propan-2-ylpiperidin-4-yl)-N-pyrazin-2-ylpyrazin-2-amine
SMILESCC(C)N1CCC(c2nccnc2Nc2cnccn2)CC1
InChIInChI=1S/C16H22N6/c1-12(2)22-9-3-13(4-10-22)15-16(20-8-7-19-15)21-14-11-17-5-6-18-14/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,18,20,21)
InChIKeyUZRFJXBNHGAEKF-UHFFFAOYSA-N
XLogP2.60
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpiperidin-4-yl)-N-pyrazin-2-ylpyrazin-2-amine?
The IUPAC name of 3-(1-propan-2-ylpiperidin-4-yl)-N-pyrazin-2-ylpyrazin-2-amine (CID 95821886) is 3-(1-propan-2-ylpiperidin-4-yl)-N-pyrazin-2-ylpyrazin-2-amine.
What is the SMILES notation for 3-(1-propan-2-ylpiperidin-4-yl)-N-pyrazin-2-ylpyrazin-2-amine?
The canonical SMILES for 3-(1-propan-2-ylpiperidin-4-yl)-N-pyrazin-2-ylpyrazin-2-amine is CC(C)N1CCC(c2nccnc2Nc2cnccn2)CC1.
What is the InChIKey of 3-(1-propan-2-ylpiperidin-4-yl)-N-pyrazin-2-ylpyrazin-2-amine?
The InChIKey is UZRFJXBNHGAEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-12(2)22-9-3-13(4-10-22)15-16(20-8-7-19-15)21-14-11-17-5-6-18-14/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,18,20,21).
What are the key properties of 3-(1-propan-2-ylpiperidin-4-yl)-N-pyrazin-2-ylpyrazin-2-amine?
3-(1-propan-2-ylpiperidin-4-yl)-N-pyrazin-2-ylpyrazin-2-amine has a molecular weight of 298.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpiperidin-4-yl)-N-pyrazin-2-ylpyrazin-2-amine is sourced from PubChem (CID 95821886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).