[1-(oxan-4-yl)triazol-4-yl]methanamine

C8H14N4O — CID 63937128

IUPAC[1-(oxan-4-yl)triazol-4-yl]methanamine
SMILESNCc1cn(C2CCOCC2)nn1
InChIInChI=1S/C8H14N4O/c9-5-7-6-12(11-10-7)8-1-3-13-4-2-8/h6,8H,1-5,9H2
InChIKeyNPNNXLZXOYJJIV-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.09
Rot. Bonds2

About [1-(oxan-4-yl)triazol-4-yl]methanamine

[1-(oxan-4-yl)triazol-4-yl]methanamine (PubChem CID 63937128) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is [1-(oxan-4-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(oxan-4-yl)triazol-4-yl]methanamine
PubChem CID63937128
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name[1-(oxan-4-yl)triazol-4-yl]methanamine
SMILESNCc1cn(C2CCOCC2)nn1
InChIInChI=1S/C8H14N4O/c9-5-7-6-12(11-10-7)8-1-3-13-4-2-8/h6,8H,1-5,9H2
InChIKeyNPNNXLZXOYJJIV-UHFFFAOYSA-N
XLogP0.09
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(oxan-4-yl)triazol-4-yl]methanamine?
The IUPAC name of [1-(oxan-4-yl)triazol-4-yl]methanamine (CID 63937128) is [1-(oxan-4-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(oxan-4-yl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(oxan-4-yl)triazol-4-yl]methanamine is NCc1cn(C2CCOCC2)nn1.
What is the InChIKey of [1-(oxan-4-yl)triazol-4-yl]methanamine?
The InChIKey is NPNNXLZXOYJJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c9-5-7-6-12(11-10-7)8-1-3-13-4-2-8/h6,8H,1-5,9H2.
What are the key properties of [1-(oxan-4-yl)triazol-4-yl]methanamine?
[1-(oxan-4-yl)triazol-4-yl]methanamine has a molecular weight of 182.23 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-4-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 63937128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).