N-[[2-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine

C11H22N4O — CID 106457410

IUPACN-[[2-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ncnn1CCOCCC
InChIInChI=1S/C11H22N4O/c1-3-5-12-9-11-13-10-14-15(11)6-8-16-7-4-2/h10,12H,3-9H2,1-2H3
InChIKeyWPLSYHFVHRQHOX-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.20
Rot. Bonds9

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

N-[[2-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine (PubChem CID 106457410) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[[2-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
PubChem CID106457410
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC NameN-[[2-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ncnn1CCOCCC
InChIInChI=1S/C11H22N4O/c1-3-5-12-9-11-13-10-14-15(11)6-8-16-7-4-2/h10,12H,3-9H2,1-2H3
InChIKeyWPLSYHFVHRQHOX-UHFFFAOYSA-N
XLogP1.20
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
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

N-[[2-(2-phenylsulfanylethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 79228500
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-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 80695802
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-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 102698035
2-(oxolan-3-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 114130530
2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 103461398
2-[3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propoxy]ethanol
CID 106309909
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propoxy-N-propylbutan-2-amine
CID 105160794
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 114173761

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine (CID 106457410) is N-[[2-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine is CCCNCc1ncnn1CCOCCC.
What is the InChIKey of N-[[2-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine?
The InChIKey is WPLSYHFVHRQHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-3-5-12-9-11-13-10-14-15(11)6-8-16-7-4-2/h10,12H,3-9H2,1-2H3.
What are the key properties of N-[[2-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine?
N-[[2-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine has a molecular weight of 226.32 g/mol, XLogP of 1.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 106457410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).