5-methyl-N-propyl-1,2,4-oxadiazol-3-amine

C6H11N3O — CID 143899590

IUPAC5-methyl-N-propyl-1,2,4-oxadiazol-3-amine
SMILESCCCNc1noc(C)n1
InChIInChI=1S/C6H11N3O/c1-3-4-7-6-8-5(2)10-9-6/h3-4H2,1-2H3,(H,7,9)
InChIKeyGYPUNXWZIXFXDJ-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.20
Rot. Bonds3

About 5-methyl-N-propyl-1,2,4-oxadiazol-3-amine

5-methyl-N-propyl-1,2,4-oxadiazol-3-amine (PubChem CID 143899590) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 5-methyl-N-propyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-propyl-1,2,4-oxadiazol-3-amine
PubChem CID143899590
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name5-methyl-N-propyl-1,2,4-oxadiazol-3-amine
SMILESCCCNc1noc(C)n1
InChIInChI=1S/C6H11N3O/c1-3-4-7-6-8-5(2)10-9-6/h3-4H2,1-2H3,(H,7,9)
InChIKeyGYPUNXWZIXFXDJ-UHFFFAOYSA-N
XLogP1.20
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide
CID 101166742
5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine
CID 130678172
6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine
CID 106411749
2,2-dimethyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide
CID 101166743
3-ethyl-N-propyl-1,2,4-oxadiazol-5-amine
CID 62594478
4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine
CID 106418468
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide
CID 106422861
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylguanidine
CID 103734481
6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106424218
4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine
CID 106418608
(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 93243352
4-N,8-N-diethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine
CID 86295992

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-methyl-N-propyl-1,2,4-oxadiazol-3-amine (CID 143899590) is 5-methyl-N-propyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-methyl-N-propyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-methyl-N-propyl-1,2,4-oxadiazol-3-amine is CCCNc1noc(C)n1.
What is the InChIKey of 5-methyl-N-propyl-1,2,4-oxadiazol-3-amine?
The InChIKey is GYPUNXWZIXFXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-3-4-7-6-8-5(2)10-9-6/h3-4H2,1-2H3,(H,7,9).
What are the key properties of 5-methyl-N-propyl-1,2,4-oxadiazol-3-amine?
5-methyl-N-propyl-1,2,4-oxadiazol-3-amine has a molecular weight of 141.17 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 143899590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).