5,6-dimethyl-N-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-1,2,4-triazin-3-amine

C13H21N5O — CID 176918085

IUPAC5,6-dimethyl-N-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-1,2,4-triazin-3-amine
SMILESCc1nnc(N[C@@H]2CCCN(C3COC3)C2)nc1C
InChIInChI=1S/C13H21N5O/c1-9-10(2)16-17-13(14-9)15-11-4-3-5-18(6-11)12-7-19-8-12/h11-12H,3-8H2,1-2H3,(H,14,15,17)/t11-/m1/s1
InChIKeyPMUXJNTZVZBXSG-LLVKDONJSA-N
MW263.34 g/mol
LogP0.76
Rot. Bonds3

About 5,6-dimethyl-N-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-1,2,4-triazin-3-amine

5,6-dimethyl-N-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-1,2,4-triazin-3-amine (PubChem CID 176918085) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 5,6-dimethyl-N-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-1,2,4-triazin-3-amine
PubChem CID176918085
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name5,6-dimethyl-N-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-1,2,4-triazin-3-amine
SMILESCc1nnc(N[C@@H]2CCCN(C3COC3)C2)nc1C
InChIInChI=1S/C13H21N5O/c1-9-10(2)16-17-13(14-9)15-11-4-3-5-18(6-11)12-7-19-8-12/h11-12H,3-8H2,1-2H3,(H,14,15,17)/t11-/m1/s1
InChIKeyPMUXJNTZVZBXSG-LLVKDONJSA-N
XLogP0.76
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-N-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-1,2,4-triazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-dimethyl-N-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-1,2,4-triazin-3-amine (CID 176918085) is 5,6-dimethyl-N-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-dimethyl-N-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-dimethyl-N-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-1,2,4-triazin-3-amine is Cc1nnc(N[C@@H]2CCCN(C3COC3)C2)nc1C.
What is the InChIKey of 5,6-dimethyl-N-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-1,2,4-triazin-3-amine?
The InChIKey is PMUXJNTZVZBXSG-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9-10(2)16-17-13(14-9)15-11-4-3-5-18(6-11)12-7-19-8-12/h11-12H,3-8H2,1-2H3,(H,14,15,17)/t11-/m1/s1.
What are the key properties of 5,6-dimethyl-N-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-1,2,4-triazin-3-amine?
5,6-dimethyl-N-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-1,2,4-triazin-3-amine has a molecular weight of 263.34 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 176918085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).