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

C8H12N4O — CID 114448479

IUPAC1-(5,6-dimethyl-1,2,4-triazin-3-yl)azetidin-3-ol
SMILESCc1nnc(N2CC(O)C2)nc1C
InChIInChI=1S/C8H12N4O/c1-5-6(2)10-11-8(9-5)12-3-7(13)4-12/h7,13H,3-4H2,1-2H3
InChIKeyMATAQCDQORSRLX-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.33
Rot. Bonds1

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

1-(5,6-dimethyl-1,2,4-triazin-3-yl)azetidin-3-ol (PubChem CID 114448479) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1,2,4-triazin-3-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(5,6-dimethyl-1,2,4-triazin-3-yl)azetidin-3-ol
PubChem CID114448479
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name1-(5,6-dimethyl-1,2,4-triazin-3-yl)azetidin-3-ol
SMILESCc1nnc(N2CC(O)C2)nc1C
InChIInChI=1S/C8H12N4O/c1-5-6(2)10-11-8(9-5)12-3-7(13)4-12/h7,13H,3-4H2,1-2H3
InChIKeyMATAQCDQORSRLX-UHFFFAOYSA-N
XLogP-0.33
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.33
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)azetidin-3-ol?
The IUPAC name of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)azetidin-3-ol (CID 114448479) is 1-(5,6-dimethyl-1,2,4-triazin-3-yl)azetidin-3-ol.
What is the SMILES notation for 1-(5,6-dimethyl-1,2,4-triazin-3-yl)azetidin-3-ol?
The canonical SMILES for 1-(5,6-dimethyl-1,2,4-triazin-3-yl)azetidin-3-ol is Cc1nnc(N2CC(O)C2)nc1C.
What is the InChIKey of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)azetidin-3-ol?
The InChIKey is MATAQCDQORSRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-5-6(2)10-11-8(9-5)12-3-7(13)4-12/h7,13H,3-4H2,1-2H3.
What are the key properties of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)azetidin-3-ol?
1-(5,6-dimethyl-1,2,4-triazin-3-yl)azetidin-3-ol has a molecular weight of 180.21 g/mol, XLogP of -0.33, 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)azetidin-3-ol is sourced from PubChem (CID 114448479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).