2-[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]ethanol

C12H21N5O — CID 176918027

IUPAC2-[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]ethanol
SMILESCc1nnc(N[C@@H]2CCCN(CCO)C2)nc1C
InChIInChI=1S/C12H21N5O/c1-9-10(2)15-16-12(13-9)14-11-4-3-5-17(8-11)6-7-18/h11,18H,3-8H2,1-2H3,(H,13,14,16)/t11-/m1/s1
InChIKeyTUMOHGZBYDFEKC-LLVKDONJSA-N
MW251.33 g/mol
LogP0.36
Rot. Bonds4

About 2-[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]ethanol

2-[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]ethanol (PubChem CID 176918027) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]ethanol
PubChem CID176918027
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]ethanol
SMILESCc1nnc(N[C@@H]2CCCN(CCO)C2)nc1C
InChIInChI=1S/C12H21N5O/c1-9-10(2)15-16-12(13-9)14-11-4-3-5-17(8-11)6-7-18/h11,18H,3-8H2,1-2H3,(H,13,14,16)/t11-/m1/s1
InChIKeyTUMOHGZBYDFEKC-LLVKDONJSA-N
XLogP0.36
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]ethanol?
The IUPAC name of 2-[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]ethanol (CID 176918027) is 2-[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]ethanol is Cc1nnc(N[C@@H]2CCCN(CCO)C2)nc1C.
What is the InChIKey of 2-[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]ethanol?
The InChIKey is TUMOHGZBYDFEKC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9-10(2)15-16-12(13-9)14-11-4-3-5-17(8-11)6-7-18/h11,18H,3-8H2,1-2H3,(H,13,14,16)/t11-/m1/s1.
What are the key properties of 2-[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]ethanol?
2-[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]ethanol has a molecular weight of 251.33 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]ethanol is sourced from PubChem (CID 176918027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).