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

C10H16N6O — CID 66192609

IUPACN-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine
SMILESCc1noc(Cn2cc(CNC(C)C)nn2)n1
InChIInChI=1S/C10H16N6O/c1-7(2)11-4-9-5-16(15-13-9)6-10-12-8(3)14-17-10/h5,7,11H,4,6H2,1-3H3
InChIKeyDYGATTRNFZRCSU-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.52
Rot. Bonds5

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

N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 66192609) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID66192609
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC NameN-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine
SMILESCc1noc(Cn2cc(CNC(C)C)nn2)n1
InChIInChI=1S/C10H16N6O/c1-7(2)11-4-9-5-16(15-13-9)6-10-12-8(3)14-17-10/h5,7,11H,4,6H2,1-3H3
InChIKeyDYGATTRNFZRCSU-UHFFFAOYSA-N
XLogP0.52
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine (CID 66192609) is N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine is Cc1noc(Cn2cc(CNC(C)C)nn2)n1.
What is the InChIKey of N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is DYGATTRNFZRCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-7(2)11-4-9-5-16(15-13-9)6-10-12-8(3)14-17-10/h5,7,11H,4,6H2,1-3H3.
What are the key properties of N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine?
N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 236.28 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66192609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).