N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxan-4-amine

C10H18N4O — CID 43702945

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxan-4-amine
SMILESCC(C1=NN=CN1C)NC2CCOCC2
InChIInChI=1S/C10H18N4O/c1-8(10-13-11-7-14(10)2)12-9-3-5-15-6-4-9/h7-9,12H,3-6H2,1-2H3
InChIKeyHFMVITZAYUOXNK-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.40
Rot. Bonds3

About N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxan-4-amine

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxan-4-amine (PubChem CID 43702945) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxan-4-amine
PubChem CID43702945
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxan-4-amine
SMILESCC(C1=NN=CN1C)NC2CCOCC2
InChIInChI=1S/C10H18N4O/c1-8(10-13-11-7-14(10)2)12-9-3-5-15-6-4-9/h7-9,12H,3-6H2,1-2H3
InChIKeyHFMVITZAYUOXNK-UHFFFAOYSA-N
XLogP-0.40
TPSA52.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity196

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxan-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxan-4-amine?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxan-4-amine (CID 43702945) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxan-4-amine.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxan-4-amine?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxan-4-amine is CC(C1=NN=CN1C)NC2CCOCC2.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxan-4-amine?
The InChIKey is HFMVITZAYUOXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(10-13-11-7-14(10)2)12-9-3-5-15-6-4-9/h7-9,12H,3-6H2,1-2H3.
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxan-4-amine?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxan-4-amine has a molecular weight of 210.28 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxan-4-amine is sourced from PubChem (CID 43702945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).