5-[1-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-amine

C6H12N4O — CID 130949129

IUPAC5-[1-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-amine
SMILESCNCC(C)c1nc(N)no1
InChIInChI=1S/C6H12N4O/c1-4(3-8-2)5-9-6(7)10-11-5/h4,8H,3H2,1-2H3,(H2,7,10)
InChIKeyINXCQURDOAVTDJ-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.03
Rot. Bonds3

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

5-[1-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-amine (PubChem CID 130949129) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 5-[1-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[1-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-amine
PubChem CID130949129
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name5-[1-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-amine
SMILESCNCC(C)c1nc(N)no1
InChIInChI=1S/C6H12N4O/c1-4(3-8-2)5-9-6(7)10-11-5/h4,8H,3H2,1-2H3,(H2,7,10)
InChIKeyINXCQURDOAVTDJ-UHFFFAOYSA-N
XLogP-0.03
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2R)-1-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 104965505
5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 18349096
5-[amino(cyclopropyl)methyl]-1,2,4-oxadiazol-3-amine
CID 65416408
(1S)-3-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107837041
5-(1-amino-3-methylsulfonylpropyl)-1,2,4-oxadiazol-3-amine
CID 65418555
N-methyl-2-(5-methyl-1,2-oxazol-3-yl)propan-1-amine
CID 83826432
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62676276
N-ethyl-5-[1-(ethylamino)propan-2-yl]-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808322
5-(2-amino-1-phenylethyl)-1,2,4-oxadiazol-3-amine
CID 65416623
5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 90326086
5-methoxy-1,2,4-oxadiazol-3-amine
CID 23279316
5-(6-butan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-3-amine
CID 149454712

Frequently Asked Questions

What is the IUPAC name of 5-[1-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[1-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-amine (CID 130949129) is 5-[1-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[1-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[1-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-amine is CNCC(C)c1nc(N)no1.
What is the InChIKey of 5-[1-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-amine?
The InChIKey is INXCQURDOAVTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-4(3-8-2)5-9-6(7)10-11-5/h4,8H,3H2,1-2H3,(H2,7,10).
What are the key properties of 5-[1-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-amine?
5-[1-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-amine has a molecular weight of 156.19 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 130949129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).