[5-(oxan-4-yl)-1,2,4-triazin-3-yl]methanamine

C9H14N4O — CID 105448142

IUPAC[5-(oxan-4-yl)-1,2,4-triazin-3-yl]methanamine
SMILESNCc1nncc(C2CCOCC2)n1
InChIInChI=1S/C9H14N4O/c10-5-9-12-8(6-11-13-9)7-1-3-14-4-2-7/h6-7H,1-5,10H2
InChIKeyVSVCGHXLUKUALI-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.22
Rot. Bonds2

About [5-(oxan-4-yl)-1,2,4-triazin-3-yl]methanamine

[5-(oxan-4-yl)-1,2,4-triazin-3-yl]methanamine (PubChem CID 105448142) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is [5-(oxan-4-yl)-1,2,4-triazin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(oxan-4-yl)-1,2,4-triazin-3-yl]methanamine
PubChem CID105448142
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name[5-(oxan-4-yl)-1,2,4-triazin-3-yl]methanamine
SMILESNCc1nncc(C2CCOCC2)n1
InChIInChI=1S/C9H14N4O/c10-5-9-12-8(6-11-13-9)7-1-3-14-4-2-7/h6-7H,1-5,10H2
InChIKeyVSVCGHXLUKUALI-UHFFFAOYSA-N
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(oxan-4-yl)-1,2,4-triazin-3-yl]methanamine?
The IUPAC name of [5-(oxan-4-yl)-1,2,4-triazin-3-yl]methanamine (CID 105448142) is [5-(oxan-4-yl)-1,2,4-triazin-3-yl]methanamine.
What is the SMILES notation for [5-(oxan-4-yl)-1,2,4-triazin-3-yl]methanamine?
The canonical SMILES for [5-(oxan-4-yl)-1,2,4-triazin-3-yl]methanamine is NCc1nncc(C2CCOCC2)n1.
What is the InChIKey of [5-(oxan-4-yl)-1,2,4-triazin-3-yl]methanamine?
The InChIKey is VSVCGHXLUKUALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-5-9-12-8(6-11-13-9)7-1-3-14-4-2-7/h6-7H,1-5,10H2.
What are the key properties of [5-(oxan-4-yl)-1,2,4-triazin-3-yl]methanamine?
[5-(oxan-4-yl)-1,2,4-triazin-3-yl]methanamine has a molecular weight of 194.24 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxan-4-yl)-1,2,4-triazin-3-yl]methanamine is sourced from PubChem (CID 105448142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).