N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine

C12H20N6O — CID 66191789

IUPACN-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(Cc2noc(C(C)C)n2)nn1
InChIInChI=1S/C12H20N6O/c1-4-5-13-6-10-7-18(17-15-10)8-11-14-12(9(2)3)19-16-11/h7,9,13H,4-6,8H2,1-3H3
InChIKeyLDQMTTHXDKWZAW-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.33
Rot. Bonds7

About N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine

N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine (PubChem CID 66191789) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
PubChem CID66191789
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC NameN-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(Cc2noc(C(C)C)n2)nn1
InChIInChI=1S/C12H20N6O/c1-4-5-13-6-10-7-18(17-15-10)8-11-14-12(9(2)3)19-16-11/h7,9,13H,4-6,8H2,1-3H3
InChIKeyLDQMTTHXDKWZAW-UHFFFAOYSA-N
XLogP1.33
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66194508
1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 114160986
N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66194073
N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66191986
N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66194289
N-[[1-(2-ethylbutyl)triazol-4-yl]methyl]propan-1-amine
CID 82931017
N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine
CID 66192968
N-[[3,5-dimethyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 61496901
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66192578
N-[[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine
CID 66192964
N-[(1-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193228

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine (CID 66191789) is N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(Cc2noc(C(C)C)n2)nn1.
What is the InChIKey of N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine?
The InChIKey is LDQMTTHXDKWZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-4-5-13-6-10-7-18(17-15-10)8-11-14-12(9(2)3)19-16-11/h7,9,13H,4-6,8H2,1-3H3.
What are the key properties of N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine?
N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine has a molecular weight of 264.33 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66191789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).