(3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-amine

C12H21N5 — CID 102986034

IUPAC(3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-amine
SMILESCCc1nnc(N2CCC[C@@H](N)C2)nc1CC
InChIInChI=1S/C12H21N5/c1-3-10-11(4-2)15-16-12(14-10)17-7-5-6-9(13)8-17/h9H,3-8,13H2,1-2H3/t9-/m1/s1
InChIKeyWDUCOFCBQFOVEX-SECBINFHSA-N
MW235.33 g/mol
LogP0.92
Rot. Bonds3

About (3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-amine

(3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-amine (PubChem CID 102986034) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is (3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-amine
PubChem CID102986034
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name(3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-amine
SMILESCCc1nnc(N2CCC[C@@H](N)C2)nc1CC
InChIInChI=1S/C12H21N5/c1-3-10-11(4-2)15-16-12(14-10)17-7-5-6-9(13)8-17/h9H,3-8,13H2,1-2H3/t9-/m1/s1
InChIKeyWDUCOFCBQFOVEX-SECBINFHSA-N
XLogP0.92
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-amine?
The IUPAC name of (3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-amine (CID 102986034) is (3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-amine?
The canonical SMILES for (3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-amine is CCc1nnc(N2CCC[C@@H](N)C2)nc1CC.
What is the InChIKey of (3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-amine?
The InChIKey is WDUCOFCBQFOVEX-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-10-11(4-2)15-16-12(14-10)17-7-5-6-9(13)8-17/h9H,3-8,13H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-amine?
(3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-amine has a molecular weight of 235.33 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-amine is sourced from PubChem (CID 102986034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).