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

C7H10N6O — CID 104915427

IUPAC(1S)-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC[C@H](N)c1nc(-c2cn[nH]n2)no1
InChIInChI=1S/C7H10N6O/c1-2-4(8)7-10-6(12-14-7)5-3-9-13-11-5/h3-4H,2,8H2,1H3,(H,9,11,13)/t4-/m0/s1
InChIKeyIYRUQUQZXCQWBN-BYPYZUCNSA-N
MW194.20 g/mol
LogP0.26
Rot. Bonds3

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

(1S)-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 104915427) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is (1S)-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID104915427
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name(1S)-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC[C@H](N)c1nc(-c2cn[nH]n2)no1
InChIInChI=1S/C7H10N6O/c1-2-4(8)7-10-6(12-14-7)5-3-9-13-11-5/h3-4H,2,8H2,1H3,(H,9,11,13)/t4-/m0/s1
InChIKeyIYRUQUQZXCQWBN-BYPYZUCNSA-N
XLogP0.26
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915429
(1R)-3-methylsulfanyl-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104909557
(1S)-2,2-dimethyl-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104899594
1-[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 130992107
(1R)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 136854692
(1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104881133
2-methyl-3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81072867
(1S)-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 94549155
(1S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 119947822
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 93350969
(1S)-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 93097128
(1R)-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 94420580

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of (1S)-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 104915427) is (1S)-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for (1S)-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for (1S)-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CC[C@H](N)c1nc(-c2cn[nH]n2)no1.
What is the InChIKey of (1S)-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is IYRUQUQZXCQWBN-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H10N6O/c1-2-4(8)7-10-6(12-14-7)5-3-9-13-11-5/h3-4H,2,8H2,1H3,(H,9,11,13)/t4-/m0/s1.
What are the key properties of (1S)-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
(1S)-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 194.20 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 104915427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).