1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylazetidin-3-ol

C9H14N4O — CID 114787388

IUPAC1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylazetidin-3-ol
SMILESCc1nnc(N2CC(C)(O)C2)nc1C
InChIInChI=1S/C9H14N4O/c1-6-7(2)11-12-8(10-6)13-4-9(3,14)5-13/h14H,4-5H2,1-3H3
InChIKeyMUGMVGVHXXMFJW-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.06
Rot. Bonds1

About 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylazetidin-3-ol

1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylazetidin-3-ol (PubChem CID 114787388) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylazetidin-3-ol
PubChem CID114787388
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylazetidin-3-ol
SMILESCc1nnc(N2CC(C)(O)C2)nc1C
InChIInChI=1S/C9H14N4O/c1-6-7(2)11-12-8(10-6)13-4-9(3,14)5-13/h14H,4-5H2,1-3H3
InChIKeyMUGMVGVHXXMFJW-UHFFFAOYSA-N
XLogP0.06
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylazetidin-3-ol?
The IUPAC name of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylazetidin-3-ol (CID 114787388) is 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylazetidin-3-ol.
What is the SMILES notation for 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylazetidin-3-ol?
The canonical SMILES for 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylazetidin-3-ol is Cc1nnc(N2CC(C)(O)C2)nc1C.
What is the InChIKey of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylazetidin-3-ol?
The InChIKey is MUGMVGVHXXMFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6-7(2)11-12-8(10-6)13-4-9(3,14)5-13/h14H,4-5H2,1-3H3.
What are the key properties of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylazetidin-3-ol?
1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylazetidin-3-ol has a molecular weight of 194.24 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylazetidin-3-ol is sourced from PubChem (CID 114787388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).