4-[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]butan-1-amine

C12H22N4O — CID 103142980

IUPAC4-[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]butan-1-amine
SMILESCC1CCC(Cn2cc(CCCCN)nn2)O1
InChIInChI=1S/C12H22N4O/c1-10-5-6-12(17-10)9-16-8-11(14-15-16)4-2-3-7-13/h8,10,12H,2-7,9,13H2,1H3
InChIKeyDXRFAOZBIQTXDL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.13
Rot. Bonds6

About 4-[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]butan-1-amine

4-[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]butan-1-amine (PubChem CID 103142980) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name4-[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]butan-1-amine
PubChem CID103142980
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]butan-1-amine
SMILESCC1CCC(Cn2cc(CCCCN)nn2)O1
InChIInChI=1S/C12H22N4O/c1-10-5-6-12(17-10)9-16-8-11(14-15-16)4-2-3-7-13/h8,10,12H,2-7,9,13H2,1H3
InChIKeyDXRFAOZBIQTXDL-UHFFFAOYSA-N
XLogP1.13
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]methanol
CID 103138035
4-[1-(oxan-2-ylmethyl)triazol-4-yl]butan-1-amine
CID 113424709
3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220963
4-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)triazol-4-yl]butan-1-amine
CID 104539224
4-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]triazol-4-yl]butan-1-amine
CID 104539389
4-[1-(2-cyclopropylethyl)triazol-4-yl]butan-1-amine
CID 104539266
4-[1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]triazol-4-yl]butan-1-amine
CID 104539127
4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine
CID 113424701
4-(1-heptyltriazol-4-yl)butan-1-amine
CID 104539279
4-(1-hexyltriazol-4-yl)butan-1-amine
CID 104539137
4-(1-nonyltriazol-4-yl)butan-1-amine
CID 104539136
2-[1-(cyclobutylmethyl)triazol-4-yl]ethanamine
CID 116642244

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]butan-1-amine?
The IUPAC name of 4-[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]butan-1-amine (CID 103142980) is 4-[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]butan-1-amine.
What is the SMILES notation for 4-[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]butan-1-amine?
The canonical SMILES for 4-[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]butan-1-amine is CC1CCC(Cn2cc(CCCCN)nn2)O1.
What is the InChIKey of 4-[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]butan-1-amine?
The InChIKey is DXRFAOZBIQTXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10-5-6-12(17-10)9-16-8-11(14-15-16)4-2-3-7-13/h8,10,12H,2-7,9,13H2,1H3.
What are the key properties of 4-[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]butan-1-amine?
4-[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]butan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]butan-1-amine is sourced from PubChem (CID 103142980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).