5,6-diethyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-triazin-3-amine

C16H21N5O — CID 167800853

IUPAC5,6-diethyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(N[C@H]2CCO[C@@H]2c2cccnc2)nc1CC
InChIInChI=1S/C16H21N5O/c1-3-12-13(4-2)20-21-16(18-12)19-14-7-9-22-15(14)11-6-5-8-17-10-11/h5-6,8,10,14-15H,3-4,7,9H2,1-2H3,(H,18,19,21)/t14-,15+/m0/s1
InChIKeyCCVNAGUBBIRXPX-LSDHHAIUSA-N
MW299.38 g/mol
LogP2.33
Rot. Bonds5

About 5,6-diethyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-triazin-3-amine

5,6-diethyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-triazin-3-amine (PubChem CID 167800853) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 5,6-diethyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-triazin-3-amine
PubChem CID167800853
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name5,6-diethyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(N[C@H]2CCO[C@@H]2c2cccnc2)nc1CC
InChIInChI=1S/C16H21N5O/c1-3-12-13(4-2)20-21-16(18-12)19-14-7-9-22-15(14)11-6-5-8-17-10-11/h5-6,8,10,14-15H,3-4,7,9H2,1-2H3,(H,18,19,21)/t14-,15+/m0/s1
InChIKeyCCVNAGUBBIRXPX-LSDHHAIUSA-N
XLogP2.33
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,6-diethyl-N-[(2R,3S)-2-pyridin-3-yloxolan-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

Related Compounds

6-methyl-2-[[(2R,3S)-2-pyridin-3-yloxolan-3-yl]amino]pyrimidine-4-carbonitrile
CID 120917031
(2S,3S)-2-pyridin-3-yloxolan-3-amine
CID 124511858
N-[2-(chloromethyl)cyclohexyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 106365704
(2R,3S)-N-[[5-(4-ethylphenyl)furan-2-yl]methyl]-2-pyridin-3-yloxolan-3-amine
CID 126802991
(2S,5S)-5-methyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxolane-2-carboxamide
CID 129347009
1-ethyl-5-oxo-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]pyrrolidine-3-carboxamide
CID 154793571
N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxane-2-carboxamide
CID 127265241
2-methoxy-N-[(2-pyridin-3-yloxolan-3-yl)methyl]ethanamine
CID 79365253
(2R,3S)-N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-3-yloxolan-3-amine
CID 120916508
2-ethyl-N-(2-phenyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133403799
2-methoxy-N-[(2-pyridin-3-yloxan-3-yl)methyl]ethanamine
CID 79365670
N-ethyl-2-pyridin-3-ylcycloheptan-1-amine
CID 62604063

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-triazin-3-amine (CID 167800853) is 5,6-diethyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-triazin-3-amine is CCc1nnc(N[C@H]2CCO[C@@H]2c2cccnc2)nc1CC.
What is the InChIKey of 5,6-diethyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-triazin-3-amine?
The InChIKey is CCVNAGUBBIRXPX-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H21N5O/c1-3-12-13(4-2)20-21-16(18-12)19-14-7-9-22-15(14)11-6-5-8-17-10-11/h5-6,8,10,14-15H,3-4,7,9H2,1-2H3,(H,18,19,21)/t14-,15+/m0/s1.
What are the key properties of 5,6-diethyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-triazin-3-amine?
5,6-diethyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-triazin-3-amine has a molecular weight of 299.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 167800853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).