(1S)-2,2-dimethyl-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

C9H14N6O — CID 104899594

IUPAC(1S)-2,2-dimethyl-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(C)(C)[C@H](N)c1nc(-c2cn[nH]n2)no1
InChIInChI=1S/C9H14N6O/c1-9(2,3)6(10)8-12-7(14-16-8)5-4-11-15-13-5/h4,6H,10H2,1-3H3,(H,11,13,15)/t6-/m1/s1
InChIKeyWOIIAJSLNHNLCX-ZCFIWIBFSA-N
MW222.25 g/mol
LogP0.90
Rot. Bonds2

About (1S)-2,2-dimethyl-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

(1S)-2,2-dimethyl-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 104899594) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID104899594
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name(1S)-2,2-dimethyl-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(C)(C)[C@H](N)c1nc(-c2cn[nH]n2)no1
InChIInChI=1S/C9H14N6O/c1-9(2,3)6(10)8-12-7(14-16-8)5-4-11-15-13-5/h4,6H,10H2,1-3H3,(H,11,13,15)/t6-/m1/s1
InChIKeyWOIIAJSLNHNLCX-ZCFIWIBFSA-N
XLogP0.90
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1S)-2,2-dimethyl-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine with MolForge

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Related Compounds

(1R)-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915429
(1S)-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915427
(1R)-3-methylsulfanyl-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104909557
2,2-dimethyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43470366
(1S)-1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 107501935
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 102949555
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 82736724
(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 94549401
(1S)-2,2-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 93057373
(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93057363
2-methyl-3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81072867
(1R)-2,2-dimethyl-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 106847396

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethyl-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of (1S)-2,2-dimethyl-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 104899594) is (1S)-2,2-dimethyl-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for (1S)-2,2-dimethyl-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for (1S)-2,2-dimethyl-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CC(C)(C)[C@H](N)c1nc(-c2cn[nH]n2)no1.
What is the InChIKey of (1S)-2,2-dimethyl-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is WOIIAJSLNHNLCX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14N6O/c1-9(2,3)6(10)8-12-7(14-16-8)5-4-11-15-13-5/h4,6H,10H2,1-3H3,(H,11,13,15)/t6-/m1/s1.
What are the key properties of (1S)-2,2-dimethyl-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
(1S)-2,2-dimethyl-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 222.25 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethyl-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 104899594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).