1-(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide

C12H20N6O2 — CID 80756673

IUPAC1-(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
SMILESCC(C)Oc1nc(N)nc(N2CCCC(C(N)=O)C2)n1
InChIInChI=1S/C12H20N6O2/c1-7(2)20-12-16-10(14)15-11(17-12)18-5-3-4-8(6-18)9(13)19/h7-8H,3-6H2,1-2H3,(H2,13,19)(H2,14,15,16,17)
InChIKeyNDYHLESODBLJRO-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.06
Rot. Bonds4

About 1-(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide

1-(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide (PubChem CID 80756673) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
PubChem CID80756673
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name1-(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
SMILESCC(C)Oc1nc(N)nc(N2CCCC(C(N)=O)C2)n1
InChIInChI=1S/C12H20N6O2/c1-7(2)20-12-16-10(14)15-11(17-12)18-5-3-4-8(6-18)9(13)19/h7-8H,3-6H2,1-2H3,(H2,13,19)(H2,14,15,16,17)
InChIKeyNDYHLESODBLJRO-UHFFFAOYSA-N
XLogP-0.06
TPSA120.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide (CID 80756673) is 1-(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide is CC(C)Oc1nc(N)nc(N2CCCC(C(N)=O)C2)n1.
What is the InChIKey of 1-(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide?
The InChIKey is NDYHLESODBLJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-7(2)20-12-16-10(14)15-11(17-12)18-5-3-4-8(6-18)9(13)19/h7-8H,3-6H2,1-2H3,(H2,13,19)(H2,14,15,16,17).
What are the key properties of 1-(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide?
1-(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 80756673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).