2-(oxolan-3-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine

C12H22N4O — CID 114130530

IUPAC2-(oxolan-3-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCCCn1ncnc1CNCCC1CCOC1
InChIInChI=1S/C12H22N4O/c1-2-6-16-12(14-10-15-16)8-13-5-3-11-4-7-17-9-11/h10-11,13H,2-9H2,1H3
InChIKeyHIVCPQHSZMJQCN-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.20
Rot. Bonds7

About 2-(oxolan-3-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine

2-(oxolan-3-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 114130530) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(oxolan-3-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID114130530
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-(oxolan-3-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCCCn1ncnc1CNCCC1CCOC1
InChIInChI=1S/C12H22N4O/c1-2-6-16-12(14-10-15-16)8-13-5-3-11-4-7-17-9-11/h10-11,13H,2-9H2,1H3
InChIKeyHIVCPQHSZMJQCN-UHFFFAOYSA-N
XLogP1.20
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.20
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

4-[(2-propyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 106841860
6-bromo-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]hexan-1-amine
CID 107844546
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine
CID 114130531
N-[[2-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 106457410
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine
CID 107302781
2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 115406742
2-(4-methylpyrazol-1-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 107302391
2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 103461398
2-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 102671747
N-methyl-1-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]methanamine
CID 83099732
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(oxolan-3-yl)ethanamine
CID 104879629
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(2-propyl-1,2,4-triazol-3-yl)methanamine
CID 115455578

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of 2-(oxolan-3-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 114130530) is 2-(oxolan-3-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(oxolan-3-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(oxolan-3-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine is CCCn1ncnc1CNCCC1CCOC1.
What is the InChIKey of 2-(oxolan-3-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is HIVCPQHSZMJQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-2-6-16-12(14-10-15-16)8-13-5-3-11-4-7-17-9-11/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-(oxolan-3-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine?
2-(oxolan-3-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 114130530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).