3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutan-1-amine

C9H14N4O — CID 114787601

IUPAC3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutan-1-amine
SMILESCc1nnc(OC2CC(N)C2)nc1C
InChIInChI=1S/C9H14N4O/c1-5-6(2)12-13-9(11-5)14-8-3-7(10)4-8/h7-8H,3-4,10H2,1-2H3
InChIKeyLALUKYYDOGHYNA-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.36
Rot. Bonds2

About 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutan-1-amine

3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutan-1-amine (PubChem CID 114787601) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutan-1-amine
PubChem CID114787601
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutan-1-amine
SMILESCc1nnc(OC2CC(N)C2)nc1C
InChIInChI=1S/C9H14N4O/c1-5-6(2)12-13-9(11-5)14-8-3-7(10)4-8/h7-8H,3-4,10H2,1-2H3
InChIKeyLALUKYYDOGHYNA-UHFFFAOYSA-N
XLogP0.36
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutan-1-amine?
The IUPAC name of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutan-1-amine (CID 114787601) is 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutan-1-amine.
What is the SMILES notation for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutan-1-amine?
The canonical SMILES for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutan-1-amine is Cc1nnc(OC2CC(N)C2)nc1C.
What is the InChIKey of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutan-1-amine?
The InChIKey is LALUKYYDOGHYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-5-6(2)12-13-9(11-5)14-8-3-7(10)4-8/h7-8H,3-4,10H2,1-2H3.
What are the key properties of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutan-1-amine?
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutan-1-amine has a molecular weight of 194.24 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutan-1-amine is sourced from PubChem (CID 114787601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).