5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine

C12H14N4O — CID 68627887

IUPAC5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine
SMILESCC(C)Oc1ccccc1-c1cnnc(N)n1
InChIInChI=1S/C12H14N4O/c1-8(2)17-11-6-4-3-5-9(11)10-7-14-16-12(13)15-10/h3-8H,1-2H3,(H2,13,15,16)
InChIKeyQPMZDVFZKWTYEX-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.91
Rot. Bonds3

About 5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine

5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine (PubChem CID 68627887) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine
PubChem CID68627887
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine
SMILESCC(C)Oc1ccccc1-c1cnnc(N)n1
InChIInChI=1S/C12H14N4O/c1-8(2)17-11-6-4-3-5-9(11)10-7-14-16-12(13)15-10/h3-8H,1-2H3,(H2,13,15,16)
InChIKeyQPMZDVFZKWTYEX-UHFFFAOYSA-N
XLogP1.91
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine (CID 68627887) is 5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine is CC(C)Oc1ccccc1-c1cnnc(N)n1.
What is the InChIKey of 5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine?
The InChIKey is QPMZDVFZKWTYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8(2)17-11-6-4-3-5-9(11)10-7-14-16-12(13)15-10/h3-8H,1-2H3,(H2,13,15,16).
What are the key properties of 5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine?
5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine has a molecular weight of 230.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 68627887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).