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

C12H18N6O2 — CID 116743167

IUPAC5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESCOC1(c2noc(-c3nc(N)n[nH]3)n2)CCCCCC1
InChIInChI=1S/C12H18N6O2/c1-19-12(6-4-2-3-5-7-12)10-15-9(20-18-10)8-14-11(13)17-16-8/h2-7H2,1H3,(H3,13,14,16,17)
InChIKeyWYLQUSGIJNMTTG-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.63
Rot. Bonds3

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

5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 116743167) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
PubChem CID116743167
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESCOC1(c2noc(-c3nc(N)n[nH]3)n2)CCCCCC1
InChIInChI=1S/C12H18N6O2/c1-19-12(6-4-2-3-5-7-12)10-15-9(20-18-10)8-14-11(13)17-16-8/h2-7H2,1H3,(H3,13,14,16,17)
InChIKeyWYLQUSGIJNMTTG-UHFFFAOYSA-N
XLogP1.63
TPSA115.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 116743159
3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-amine
CID 104609719
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104609706
3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 116743211
5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116743136
6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 116701531
4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 116741607
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 104609683
4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
CID 136771094
5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 65421017
2-[4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116741659
[5-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
CID 116741810

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (CID 116743167) is 5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is COC1(c2noc(-c3nc(N)n[nH]3)n2)CCCCCC1.
What is the InChIKey of 5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is WYLQUSGIJNMTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-19-12(6-4-2-3-5-7-12)10-15-9(20-18-10)8-14-11(13)17-16-8/h2-7H2,1H3,(H3,13,14,16,17).
What are the key properties of 5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 278.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 116743167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).