[1-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine

C10H12N8O — CID 115458341

IUPAC[1-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
SMILESCn1ccc(-c2noc(Cn3cc(CN)nn3)n2)n1
InChIInChI=1S/C10H12N8O/c1-17-3-2-8(14-17)10-12-9(19-15-10)6-18-5-7(4-11)13-16-18/h2-3,5H,4,6,11H2,1H3
InChIKeyCUZOPYYIBZWGLJ-UHFFFAOYSA-N
MW260.26 g/mol
LogP-0.43
Rot. Bonds4

About [1-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine

[1-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine (PubChem CID 115458341) has the molecular formula C10H12N8O and a molecular weight of 260.26 g/mol. Its IUPAC name is [1-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
PubChem CID115458341
Molecular FormulaC10H12N8O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name[1-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
SMILESCn1ccc(-c2noc(Cn3cc(CN)nn3)n2)n1
InChIInChI=1S/C10H12N8O/c1-17-3-2-8(14-17)10-12-9(19-15-10)6-18-5-7(4-11)13-16-18/h2-3,5H,4,6,11H2,1H3
InChIKeyCUZOPYYIBZWGLJ-UHFFFAOYSA-N
XLogP-0.43
TPSA113.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [1-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine with MolForge

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Related Compounds

[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine
CID 62055902
[1-[[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 107916389
3-[5-[[4-(aminomethyl)triazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921120
2-methyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81072184
5-[[4-(bromomethyl)triazol-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 62401990
(2S)-4-methyl-2-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine
CID 104916138
[1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 113313968
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
CID 62401112
[1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 115458330
[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
CID 62399980
4-methyl-3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
CID 65196556
4-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65199728

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine (CID 115458341) is [1-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine is Cn1ccc(-c2noc(Cn3cc(CN)nn3)n2)n1.
What is the InChIKey of [1-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine?
The InChIKey is CUZOPYYIBZWGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N8O/c1-17-3-2-8(14-17)10-12-9(19-15-10)6-18-5-7(4-11)13-16-18/h2-3,5H,4,6,11H2,1H3.
What are the key properties of [1-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine?
[1-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine has a molecular weight of 260.26 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 115458341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).