6-[(3R)-1-ethylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine

C11H19N5 — CID 175963971

IUPAC6-[(3R)-1-ethylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
SMILESCCN1CCC[C@@H](c2nnc(N)nc2C)C1
InChIInChI=1S/C11H19N5/c1-3-16-6-4-5-9(7-16)10-8(2)13-11(12)15-14-10/h9H,3-7H2,1-2H3,(H2,12,13,15)/t9-/m1/s1
InChIKeyKLFGDZMMPWYDRC-SECBINFHSA-N
MW221.31 g/mol
LogP0.96
Rot. Bonds2

About 6-[(3R)-1-ethylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine

6-[(3R)-1-ethylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine (PubChem CID 175963971) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 6-[(3R)-1-ethylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-[(3R)-1-ethylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
PubChem CID175963971
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name6-[(3R)-1-ethylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
SMILESCCN1CCC[C@@H](c2nnc(N)nc2C)C1
InChIInChI=1S/C11H19N5/c1-3-16-6-4-5-9(7-16)10-8(2)13-11(12)15-14-10/h9H,3-7H2,1-2H3,(H2,12,13,15)/t9-/m1/s1
InChIKeyKLFGDZMMPWYDRC-SECBINFHSA-N
XLogP0.96
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-ethylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-[(3R)-1-ethylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine (CID 175963971) is 6-[(3R)-1-ethylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-[(3R)-1-ethylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-[(3R)-1-ethylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine is CCN1CCC[C@@H](c2nnc(N)nc2C)C1.
What is the InChIKey of 6-[(3R)-1-ethylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine?
The InChIKey is KLFGDZMMPWYDRC-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N5/c1-3-16-6-4-5-9(7-16)10-8(2)13-11(12)15-14-10/h9H,3-7H2,1-2H3,(H2,12,13,15)/t9-/m1/s1.
What are the key properties of 6-[(3R)-1-ethylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine?
6-[(3R)-1-ethylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine has a molecular weight of 221.31 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-1-ethylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 175963971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).