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

C8H10N6O — CID 65421017

IUPAC5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESCC1CC1c1noc(-c2nc(N)n[nH]2)n1
InChIInChI=1S/C8H10N6O/c1-3-2-4(3)5-10-7(15-14-5)6-11-8(9)13-12-6/h3-4H,2H2,1H3,(H3,9,11,12,13)
InChIKeyLOKMXPXVZCSIHK-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.56
Rot. Bonds2

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

5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 65421017) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
PubChem CID65421017
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESCC1CC1c1noc(-c2nc(N)n[nH]2)n1
InChIInChI=1S/C8H10N6O/c1-3-2-4(3)5-10-7(15-14-5)6-11-8(9)13-12-6/h3-4H,2H2,1H3,(H3,9,11,12,13)
InChIKeyLOKMXPXVZCSIHK-UHFFFAOYSA-N
XLogP0.56
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 62794225
5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
CID 65392279
5-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 103344457
5-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 64981823
5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811688
5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 116743167
5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 62793211
5-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 65131001
2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65420585
4,5-dimethoxy-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65419919
4-fluoro-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65421875
4-chloro-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65422097

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (CID 65421017) is 5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is CC1CC1c1noc(-c2nc(N)n[nH]2)n1.
What is the InChIKey of 5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is LOKMXPXVZCSIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c1-3-2-4(3)5-10-7(15-14-5)6-11-8(9)13-12-6/h3-4H,2H2,1H3,(H3,9,11,12,13).
What are the key properties of 5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 206.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 65421017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).