N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine

C12H20N4O2 — CID 63556927

IUPACN-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESc1c(CNC2CC2)nnn1CCOC1CCOC1
InChIInChI=1S/C12H20N4O2/c1-2-10(1)13-7-11-8-16(15-14-11)4-6-18-12-3-5-17-9-12/h8,10,12-13H,1-7,9H2
InChIKeyLKHQGYSPBUVWLP-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.34
Rot. Bonds7

About N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine

N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 63556927) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID63556927
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESc1c(CNC2CC2)nnn1CCOC1CCOC1
InChIInChI=1S/C12H20N4O2/c1-2-10(1)13-7-11-8-16(15-14-11)4-6-18-12-3-5-17-9-12/h8,10,12-13H,1-7,9H2
InChIKeyLKHQGYSPBUVWLP-UHFFFAOYSA-N
XLogP0.34
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 115942925
N-[[1-(2-phenylmethoxyethyl)triazol-4-yl]methyl]cyclopropanamine
CID 62444055
N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005
4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole
CID 139019688
N-[[1-[2-[(4-bromophenyl)methoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 82807547
2-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]quinoxaline
CID 154782029
N-[[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62421520
N-[[1-(2-pyridin-3-yloxyethyl)triazol-4-yl]methyl]cyclopropanamine
CID 62451750
2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(oxan-4-yl)acetamide
CID 66192627
N-[[1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62455737
N-[[1-[2-(1-phenylethoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62444388
2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol
CID 66268121

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine (CID 63556927) is N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine is c1c(CNC2CC2)nnn1CCOC1CCOC1.
What is the InChIKey of N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is LKHQGYSPBUVWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-10(1)13-7-11-8-16(15-14-11)4-6-18-12-3-5-17-9-12/h8,10,12-13H,1-7,9H2.
What are the key properties of N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 252.32 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63556927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).