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

C11H20N4O — CID 106458377

IUPACN-[[1-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
SMILESCCCOCCn1cnc(CNC2CC2)n1
InChIInChI=1S/C11H20N4O/c1-2-6-16-7-5-15-9-13-11(14-15)8-12-10-3-4-10/h9-10,12H,2-8H2,1H3
InChIKeySIXVODIJOISGIV-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.96
Rot. Bonds8

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

N-[[1-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine (PubChem CID 106458377) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[[1-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
PubChem CID106458377
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[[1-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
SMILESCCCOCCn1cnc(CNC2CC2)n1
InChIInChI=1S/C11H20N4O/c1-2-6-16-7-5-15-9-13-11(14-15)8-12-10-3-4-10/h9-10,12H,2-8H2,1H3
InChIKeySIXVODIJOISGIV-UHFFFAOYSA-N
XLogP0.96
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.96
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-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719730
N-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 106455227
N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749345
1-(2-propoxyethyl)-1,2,4-triazole-3-carboxylic acid
CID 141032274
4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 103884490
1-[1-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]-N-methylmethanamine
CID 103413590
N-[[1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 115942925
N-[[1-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 65178499
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thian-4-amine
CID 103884514
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 103884508
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 102901261
N-[2-[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]ethyl]cyclopropanamine
CID 106458284

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine (CID 106458377) is N-[[1-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine is CCCOCCn1cnc(CNC2CC2)n1.
What is the InChIKey of N-[[1-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine?
The InChIKey is SIXVODIJOISGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-6-16-7-5-15-9-13-11(14-15)8-12-10-3-4-10/h9-10,12H,2-8H2,1H3.
What are the key properties of N-[[1-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine?
N-[[1-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine has a molecular weight of 224.31 g/mol, XLogP of 0.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106458377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).