5-tert-butyl-3-methoxy-1,2,4-triazine

C8H13N3O — CID 12853062

IUPAC5-tert-butyl-3-methoxy-1,2,4-triazine
SMILESCOc1nncc(C(C)(C)C)n1
InChIInChI=1S/C8H13N3O/c1-8(2,3)6-5-9-11-7(10-6)12-4/h5H,1-4H3
InChIKeyQIWFSCBVELQMSW-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.18
Rot. Bonds1

About 5-tert-butyl-3-methoxy-1,2,4-triazine

5-tert-butyl-3-methoxy-1,2,4-triazine (PubChem CID 12853062) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-tert-butyl-3-methoxy-1,2,4-triazine.

Molecular Properties

Compound Name5-tert-butyl-3-methoxy-1,2,4-triazine
PubChem CID12853062
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-tert-butyl-3-methoxy-1,2,4-triazine
SMILESCOc1nncc(C(C)(C)C)n1
InChIInChI=1S/C8H13N3O/c1-8(2,3)6-5-9-11-7(10-6)12-4/h5H,1-4H3
InChIKeyQIWFSCBVELQMSW-UHFFFAOYSA-N
XLogP1.18
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 3052758
CID 3052758
CID 3053039
CID 3053039
CID 3070769
CID 3070769
CID 12450647
CID 12450647
CID 12450643
CID 12450643
CID 23383515
CID 23383515
CID 22240088
CID 22240088
CID 15564622
CID 15564622
CID 23383499
CID 23383499
CID 56688648
CID 56688648
CID 135518046
CID 135518046
CID 12296678
CID 12296678

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methoxy-1,2,4-triazine?
The IUPAC name of 5-tert-butyl-3-methoxy-1,2,4-triazine (CID 12853062) is 5-tert-butyl-3-methoxy-1,2,4-triazine.
What is the SMILES notation for 5-tert-butyl-3-methoxy-1,2,4-triazine?
The canonical SMILES for 5-tert-butyl-3-methoxy-1,2,4-triazine is COc1nncc(C(C)(C)C)n1.
What is the InChIKey of 5-tert-butyl-3-methoxy-1,2,4-triazine?
The InChIKey is QIWFSCBVELQMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-8(2,3)6-5-9-11-7(10-6)12-4/h5H,1-4H3.
What are the key properties of 5-tert-butyl-3-methoxy-1,2,4-triazine?
5-tert-butyl-3-methoxy-1,2,4-triazine has a molecular weight of 167.21 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methoxy-1,2,4-triazine is sourced from PubChem (CID 12853062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).