6-cyclobutyl-3-methyl-1,2,4-triazin-5-amine

C8H12N4 — CID 116823540

IUPAC6-cyclobutyl-3-methyl-1,2,4-triazin-5-amine
SMILESCc1nnc(C2CCC2)c(N)n1
InChIInChI=1S/C8H12N4/c1-5-10-8(9)7(12-11-5)6-3-2-4-6/h6H,2-4H2,1H3,(H2,9,10,11)
InChIKeyNBYFLBQYJOGSOM-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.03
Rot. Bonds1

About 6-cyclobutyl-3-methyl-1,2,4-triazin-5-amine

6-cyclobutyl-3-methyl-1,2,4-triazin-5-amine (PubChem CID 116823540) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 6-cyclobutyl-3-methyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-cyclobutyl-3-methyl-1,2,4-triazin-5-amine
PubChem CID116823540
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name6-cyclobutyl-3-methyl-1,2,4-triazin-5-amine
SMILESCc1nnc(C2CCC2)c(N)n1
InChIInChI=1S/C8H12N4/c1-5-10-8(9)7(12-11-5)6-3-2-4-6/h6H,2-4H2,1H3,(H2,9,10,11)
InChIKeyNBYFLBQYJOGSOM-UHFFFAOYSA-N
XLogP1.03
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-3-methyl-1,2,4-triazin-5-amine?
The IUPAC name of 6-cyclobutyl-3-methyl-1,2,4-triazin-5-amine (CID 116823540) is 6-cyclobutyl-3-methyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-cyclobutyl-3-methyl-1,2,4-triazin-5-amine?
The canonical SMILES for 6-cyclobutyl-3-methyl-1,2,4-triazin-5-amine is Cc1nnc(C2CCC2)c(N)n1.
What is the InChIKey of 6-cyclobutyl-3-methyl-1,2,4-triazin-5-amine?
The InChIKey is NBYFLBQYJOGSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-5-10-8(9)7(12-11-5)6-3-2-4-6/h6H,2-4H2,1H3,(H2,9,10,11).
What are the key properties of 6-cyclobutyl-3-methyl-1,2,4-triazin-5-amine?
6-cyclobutyl-3-methyl-1,2,4-triazin-5-amine has a molecular weight of 164.21 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-3-methyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).