[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine

C8H14N4O — CID 62055201

IUPAC[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine
SMILESNCc1cn(CC2CCCO2)nn1
InChIInChI=1S/C8H14N4O/c9-4-7-5-12(11-10-7)6-8-2-1-3-13-8/h5,8H,1-4,6,9H2
InChIKeyVNVLDCZIOFIQLE-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.08
Rot. Bonds3

About [1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine

[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine (PubChem CID 62055201) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is [1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine
PubChem CID62055201
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine
SMILESNCc1cn(CC2CCCO2)nn1
InChIInChI=1S/C8H14N4O/c9-4-7-5-12(11-10-7)6-8-2-1-3-13-8/h5,8H,1-4,6,9H2
InChIKeyVNVLDCZIOFIQLE-UHFFFAOYSA-N
XLogP-0.08
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine?
The IUPAC name of [1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine (CID 62055201) is [1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine is NCc1cn(CC2CCCO2)nn1.
What is the InChIKey of [1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine?
The InChIKey is VNVLDCZIOFIQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c9-4-7-5-12(11-10-7)6-8-2-1-3-13-8/h5,8H,1-4,6,9H2.
What are the key properties of [1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine?
[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine has a molecular weight of 182.23 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 62055201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).