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

C10H16N6O — CID 114222902

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propyltriazol-4-amine
SMILESCCCn1nncc1NCCc1noc(C)n1
InChIInChI=1S/C10H16N6O/c1-3-6-16-10(7-12-15-16)11-5-4-9-13-8(2)17-14-9/h7,11H,3-6H2,1-2H3
InChIKeyFOQIFPSYMUAQGI-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.03
Rot. Bonds6

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

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propyltriazol-4-amine (PubChem CID 114222902) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propyltriazol-4-amine.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propyltriazol-4-amine
PubChem CID114222902
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propyltriazol-4-amine
SMILESCCCn1nncc1NCCc1noc(C)n1
InChIInChI=1S/C10H16N6O/c1-3-6-16-10(7-12-15-16)11-5-4-9-13-8(2)17-14-9/h7,11H,3-6H2,1-2H3
InChIKeyFOQIFPSYMUAQGI-UHFFFAOYSA-N
XLogP1.03
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 114185716
N-propan-2-yl-3-propyltriazol-4-amine
CID 130486605
3-[[5-(bromomethyl)triazol-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 130566535
N'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine
CID 114222797
N-[4-(2-methoxyethoxy)butyl]-3-propyltriazol-4-amine
CID 114222854
4-bromo-2-(2-hydroxyethyl)-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazin-3-one
CID 106418516
5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 114186751
ethane;5-methyl-1-propyltriazole
CID 164526823
6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106424218
4-methyl-2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106413974
N-[(1-tert-butyltriazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 103527111
5-ethyl-6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424216

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propyltriazol-4-amine?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propyltriazol-4-amine (CID 114222902) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propyltriazol-4-amine.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propyltriazol-4-amine?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propyltriazol-4-amine is CCCn1nncc1NCCc1noc(C)n1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propyltriazol-4-amine?
The InChIKey is FOQIFPSYMUAQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-3-6-16-10(7-12-15-16)11-5-4-9-13-8(2)17-14-9/h7,11H,3-6H2,1-2H3.
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propyltriazol-4-amine?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propyltriazol-4-amine has a molecular weight of 236.28 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propyltriazol-4-amine is sourced from PubChem (CID 114222902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).