[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(oxan-4-yl)-1,2,4-triazin-3-yl]cyclopropan-1-amine
CID 105475956
1-(5-cyclopropyl-1,2,4-triazin-3-yl)-N-methylmethanamine
CID 105432481
2-(5-cycloheptyl-1,2,4-triazin-3-yl)ethanol
CID 105477919
1-(5-cyclopropyl-1,2,4-triazin-3-yl)-N-methylpropan-2-amine
CID 105446561
[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine
CID 105469286
[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride
CID 105469285
2-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine
CID 83916591
[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324587
3-chloro-6-(oxan-4-yl)pyridazin-4-amine
CID 117105134
2-[4-(oxan-4-yl)pyrimidin-2-yl]ethanol
CID 116899632
4-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-2-amine
CID 116893068
5-(thian-4-yl)-1,2,4-triazin-3-amine
CID 105450174

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).